N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

C24H29N3O3 — CID 97376457

IUPACN-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21
InChIInChI=1S/C24H29N3O3/c1-17(2)26-22(28)14-19-15-24(30-21-8-4-3-7-20(19)21)9-12-27(13-10-24)23(29)18-6-5-11-25-16-18/h3-8,11,16-17,19H,9-10,12-15H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyZHYUGFURRDDCJJ-IBGZPJMESA-N
MW407.51 g/mol
LogP3.54
Rot. Bonds4

About N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 97376457) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
PubChem CID97376457
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21
InChIInChI=1S/C24H29N3O3/c1-17(2)26-22(28)14-19-15-24(30-21-8-4-3-7-20(19)21)9-12-27(13-10-24)23(29)18-6-5-11-25-16-18/h3-8,11,16-17,19H,9-10,12-15H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyZHYUGFURRDDCJJ-IBGZPJMESA-N
XLogP3.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131646412
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131644974
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-[(4R)-1'-(pyridin-4-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376449
N-(2-methylpropyl)-2-[(4R)-1'-(pyrazine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376654
N-propan-2-yl-2-[(4R)-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376445
N-propan-2-yl-2-[1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131643795
N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376426
2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide
CID 97376424
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131662358
2-[1'-(2-ethylbutanoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-pyridin-3-ylacetamide;2,2,2-trifluoroacetic acid
CID 155844243

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 97376457) is N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21.
What is the InChIKey of N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The InChIKey is ZHYUGFURRDDCJJ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(2)26-22(28)14-19-15-24(30-21-8-4-3-7-20(19)21)9-12-27(13-10-24)23(29)18-6-5-11-25-16-18/h3-8,11,16-17,19H,9-10,12-15H2,1-2H3,(H,26,28)/t19-/m0/s1.
What are the key properties of N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 97376457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).