N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid

C27H30F3N3O5 — CID 155852859

IUPACN-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC2(CCN(C(=O)c3ccncc3)CC2)Oc2ccccc21)NCC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H29N3O3.C2HF3O2/c29-23(27-17-18-5-6-18)15-20-16-25(31-22-4-2-1-3-21(20)22)9-13-28(14-10-25)24(30)19-7-11-26-12-8-19;3-2(4,5)1(6)7/h1-4,7-8,11-12,18,20H,5-6,9-10,13-17H2,(H,27,29);(H,6,7)
InChIKeyHVUJLJLLXJYFRF-UHFFFAOYSA-N
MW533.55 g/mol
LogP4.17
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid

N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155852859) has the molecular formula C27H30F3N3O5 and a molecular weight of 533.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155852859
Molecular FormulaC27H30F3N3O5
Molecular Weight533.55 g/mol
Exact Mass533.21
IUPAC NameN-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC2(CCN(C(=O)c3ccncc3)CC2)Oc2ccccc21)NCC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H29N3O3.C2HF3O2/c29-23(27-17-18-5-6-18)15-20-16-25(31-22-4-2-1-3-21(20)22)9-13-28(14-10-25)24(30)19-7-11-26-12-8-19;3-2(4,5)1(6)7/h1-4,7-8,11-12,18,20H,5-6,9-10,13-17H2,(H,27,29);(H,6,7)
InChIKeyHVUJLJLLXJYFRF-UHFFFAOYSA-N
XLogP4.17
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.55
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131645417
N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155847775
N-propan-2-yl-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131646412
N-(cyclopropylmethyl)-2-[1'-[(4-methoxyphenyl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155845289
N-(cyclopropylmethyl)-2-[(4R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376225
N-(cyclopropylmethyl)-2-[(4S)-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376222
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131644974
N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155841808
2-[1'-(3-methylfuran-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-pyridin-3-ylacetamide;2,2,2-trifluoroacetic acid
CID 155835890
N-(cyclopropylmethyl)-2-[(4R)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376210
N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376217
N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376457

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid (CID 155852859) is N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid is O=C(CC1CC2(CCN(C(=O)c3ccncc3)CC2)Oc2ccccc21)NCC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is HVUJLJLLXJYFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3.C2HF3O2/c29-23(27-17-18-5-6-18)15-20-16-25(31-22-4-2-1-3-21(20)22)9-13-28(14-10-25)24(30)19-7-11-26-12-8-19;3-2(4,5)1(6)7/h1-4,7-8,11-12,18,20H,5-6,9-10,13-17H2,(H,27,29);(H,6,7).
What are the key properties of N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid?
N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 533.55 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155852859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).