N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide

C22H32ClN3O3S — CID 56686011

IUPACN-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCN2CCCCC12)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H32ClN3O3S/c23-19-6-8-20(9-7-19)30(28,29)26-14-10-17(11-15-26)22(27)24-16-18-4-3-13-25-12-2-1-5-21(18)25/h6-9,17-18,21H,1-5,10-16H2,(H,24,27)/t18-,21?/m0/s1
InChIKeyTWTMAAYOQGHXKM-YMXDCFFPSA-N
MW454.04 g/mol
LogP3.12
Rot. Bonds5

About N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide

N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 56686011) has the molecular formula C22H32ClN3O3S and a molecular weight of 454.04 g/mol. Its IUPAC name is N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID56686011
Molecular FormulaC22H32ClN3O3S
Molecular Weight454.04 g/mol
Exact Mass453.19
IUPAC NameN-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCN2CCCCC12)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H32ClN3O3S/c23-19-6-8-20(9-7-19)30(28,29)26-14-10-17(11-15-26)22(27)24-16-18-4-3-13-25-12-2-1-5-21(18)25/h6-9,17-18,21H,1-5,10-16H2,(H,24,27)/t18-,21?/m0/s1
InChIKeyTWTMAAYOQGHXKM-YMXDCFFPSA-N
XLogP3.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.04
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

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1-(4-chlorophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
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1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide (CID 56686011) is N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NC[C@@H]1CCCN2CCCCC12)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is TWTMAAYOQGHXKM-YMXDCFFPSA-N. The full InChI is InChI=1S/C22H32ClN3O3S/c23-19-6-8-20(9-7-19)30(28,29)26-14-10-17(11-15-26)22(27)24-16-18-4-3-13-25-12-2-1-5-21(18)25/h6-9,17-18,21H,1-5,10-16H2,(H,24,27)/t18-,21?/m0/s1.
What are the key properties of N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 454.04 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 56686011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).