N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

C25H32N2O2S — CID 97376217

IUPACN-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NCC2CC2)c2ccccc2O3)s1
InChIInChI=1S/C25H32N2O2S/c1-18-6-9-21(30-18)17-27-12-10-25(11-13-27)15-20(14-24(28)26-16-19-7-8-19)22-4-2-3-5-23(22)29-25/h2-6,9,19-20H,7-8,10-17H2,1H3,(H,26,28)/t20-/m1/s1
InChIKeySMWIRVZIZYJDQT-HXUWFJFHSA-N
MW424.61 g/mol
LogP4.87
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 97376217) has the molecular formula C25H32N2O2S and a molecular weight of 424.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
PubChem CID97376217
Molecular FormulaC25H32N2O2S
Molecular Weight424.61 g/mol
Exact Mass424.22
IUPAC NameN-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NCC2CC2)c2ccccc2O3)s1
InChIInChI=1S/C25H32N2O2S/c1-18-6-9-21(30-18)17-27-12-10-25(11-13-27)15-20(14-24(28)26-16-19-7-8-19)22-4-2-3-5-23(22)29-25/h2-6,9,19-20H,7-8,10-17H2,1H3,(H,26,28)/t20-/m1/s1
InChIKeySMWIRVZIZYJDQT-HXUWFJFHSA-N
XLogP4.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376493
N-(cyclopropylmethyl)-2-[(4S)-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376222
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-[(4R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376225
N-(cyclopropylmethyl)-2-[1'-[(4-methoxyphenyl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155845289
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 97376409
2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-(2-methylpropyl)acetamide
CID 131640150
N-(2-methoxyethyl)-2-[(4R)-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376490
N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131645417
N-propan-2-yl-2-[1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131643795
N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131663503
N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376426

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 97376217) is N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NCC2CC2)c2ccccc2O3)s1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The InChIKey is SMWIRVZIZYJDQT-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N2O2S/c1-18-6-9-21(30-18)17-27-12-10-25(11-13-27)15-20(14-24(28)26-16-19-7-8-19)22-4-2-3-5-23(22)29-25/h2-6,9,19-20H,7-8,10-17H2,1H3,(H,26,28)/t20-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 424.61 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 97376217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).