N-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide

C20H28N4O — CID 91516842

IUPACN-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C1=CC2CCNCC2NC1
InChIInChI=1S/C20H28N4O/c25-20(16-12-15-8-9-21-14-19(15)22-13-16)23-17-4-6-18(7-5-17)24-10-2-1-3-11-24/h4-7,12,15,19,21-22H,1-3,8-11,13-14H2,(H,23,25)
InChIKeyJIEXDHKFGYQWHD-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.12
Rot. Bonds3

About N-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide

N-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide (PubChem CID 91516842) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide
PubChem CID91516842
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C1=CC2CCNCC2NC1
InChIInChI=1S/C20H28N4O/c25-20(16-12-15-8-9-21-14-19(15)22-13-16)23-17-4-6-18(7-5-17)24-10-2-1-3-11-24/h4-7,12,15,19,21-22H,1-3,8-11,13-14H2,(H,23,25)
InChIKeyJIEXDHKFGYQWHD-UHFFFAOYSA-N
XLogP2.12
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(4aS,8aS)-4-hydroxy-2-oxo-N-(4-piperidin-1-ylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide
CID 58024499
(2R)-N-[4-(azepan-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103813730
N-(4-pyrrolidin-1-ylphenyl)azepane-2-carboxamide
CID 64562834
(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 93029701
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 139502337
2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 64617395
4-hydroxy-2-oxo-N-(4-piperidin-1-ylphenyl)-4a,5,6,7,8,8a-hexahydrochromene-3-carboxamide
CID 58024538
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide
CID 1480241
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63180680
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide (CID 91516842) is N-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)C1=CC2CCNCC2NC1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide?
The InChIKey is JIEXDHKFGYQWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c25-20(16-12-15-8-9-21-14-19(15)22-13-16)23-17-4-6-18(7-5-17)24-10-2-1-3-11-24/h4-7,12,15,19,21-22H,1-3,8-11,13-14H2,(H,23,25).
What are the key properties of N-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide?
N-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-1,2,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 91516842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).