N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide

C26H38N4O — CID 142130829

IUPACN-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide
SMILESCN(C(=O)CCCCN1CCCCC1)c1ccc(C2(C#N)CC[C@H]3CCCCN32)cc1
InChIInChI=1S/C26H38N4O/c1-28(25(31)10-4-7-19-29-17-5-2-6-18-29)23-13-11-22(12-14-23)26(21-27)16-15-24-9-3-8-20-30(24)26/h11-14,24H,2-10,15-20H2,1H3/t24-,26?/m1/s1
InChIKeyJOIUZHOQFIZNEX-RMVMEJTISA-N
MW422.62 g/mol
LogP4.67
Rot. Bonds7

About N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide

N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide (PubChem CID 142130829) has the molecular formula C26H38N4O and a molecular weight of 422.62 g/mol. Its IUPAC name is N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide
PubChem CID142130829
Molecular FormulaC26H38N4O
Molecular Weight422.62 g/mol
Exact Mass422.30
IUPAC NameN-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide
SMILESCN(C(=O)CCCCN1CCCCC1)c1ccc(C2(C#N)CC[C@H]3CCCCN32)cc1
InChIInChI=1S/C26H38N4O/c1-28(25(31)10-4-7-19-29-17-5-2-6-18-29)23-13-11-22(12-14-23)26(21-27)16-15-24-9-3-8-20-30(24)26/h11-14,24H,2-10,15-20H2,1H3/t24-,26?/m1/s1
InChIKeyJOIUZHOQFIZNEX-RMVMEJTISA-N
XLogP4.67
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide with MolForge

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Related Compounds

N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide
CID 59036105
N-methyl-N-phenyl-3-piperidin-1-ylpropanamide
CID 110688340
N-methyl-6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10733166
CID 88747935
CID 88747935
CID 173431785
CID 173431785
4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide
CID 86744370
N-methyl-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 21061007
N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-methyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014553
5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide
CID 129054888
N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide
CID 154490639

Frequently Asked Questions

What is the IUPAC name of N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide?
The IUPAC name of N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide (CID 142130829) is N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide.
What is the SMILES notation for N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide?
The canonical SMILES for N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide is CN(C(=O)CCCCN1CCCCC1)c1ccc(C2(C#N)CC[C@H]3CCCCN32)cc1.
What is the InChIKey of N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide?
The InChIKey is JOIUZHOQFIZNEX-RMVMEJTISA-N. The full InChI is InChI=1S/C26H38N4O/c1-28(25(31)10-4-7-19-29-17-5-2-6-18-29)23-13-11-22(12-14-23)26(21-27)16-15-24-9-3-8-20-30(24)26/h11-14,24H,2-10,15-20H2,1H3/t24-,26?/m1/s1.
What are the key properties of N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide?
N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide has a molecular weight of 422.62 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8aR)-3-cyano-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-yl]phenyl]-N-methyl-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 142130829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).