N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide

C32H38ClN3O2 — CID 87914884

IUPACN-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide
SMILESCOc1c(C2CCN(CCCCN(C(=O)c3ccccc3)c3cccnc3Cl)CC2)ccc2c1CCCC2
InChIInChI=1S/C32H38ClN3O2/c1-38-30-27-13-6-5-10-24(27)15-16-28(30)25-17-22-35(23-18-25)20-7-8-21-36(29-14-9-19-34-31(29)33)32(37)26-11-3-2-4-12-26/h2-4,9,11-12,14-16,19,25H,5-8,10,13,17-18,20-23H2,1H3
InChIKeyKKGQDKBAFUNAOE-UHFFFAOYSA-N
MW532.13 g/mol
LogP6.93
Rot. Bonds9

About N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide

N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide (PubChem CID 87914884) has the molecular formula C32H38ClN3O2 and a molecular weight of 532.13 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide
PubChem CID87914884
Molecular FormulaC32H38ClN3O2
Molecular Weight532.13 g/mol
Exact Mass531.27
IUPAC NameN-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide
SMILESCOc1c(C2CCN(CCCCN(C(=O)c3ccccc3)c3cccnc3Cl)CC2)ccc2c1CCCC2
InChIInChI=1S/C32H38ClN3O2/c1-38-30-27-13-6-5-10-24(27)15-16-28(30)25-17-22-35(23-18-25)20-7-8-21-36(29-14-9-19-34-31(29)33)32(37)26-11-3-2-4-12-26/h2-4,9,11-12,14-16,19,25H,5-8,10,13,17-18,20-23H2,1H3
InChIKeyKKGQDKBAFUNAOE-UHFFFAOYSA-N
XLogP6.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.13
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone
CID 58610266
N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide
CID 44532782
6-(4-methanimidoylphenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 142849823
N-(2-chloro-3-pyridinyl)-N-hexylbenzamide;5-hexylbenzo[c][1,5]naphthyridin-6-one
CID 157420900
N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide
CID 139834877
N-[2-[4-(2,3-dimethoxybenzoyl)piperidin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide
CID 139801493
N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 44532820
N-[2-(4-chlorophenyl)ethyl]-N-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]benzamide
CID 44589629
N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 15461957
N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 67628614
2-(4-cyanophenyl)-N-[4-[4-[1-(2-hydroxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 58657930
N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 139801461

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide (CID 87914884) is N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide is COc1c(C2CCN(CCCCN(C(=O)c3ccccc3)c3cccnc3Cl)CC2)ccc2c1CCCC2.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide?
The InChIKey is KKGQDKBAFUNAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O2/c1-38-30-27-13-6-5-10-24(27)15-16-28(30)25-17-22-35(23-18-25)20-7-8-21-36(29-14-9-19-34-31(29)33)32(37)26-11-3-2-4-12-26/h2-4,9,11-12,14-16,19,25H,5-8,10,13,17-18,20-23H2,1H3.
What are the key properties of N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide?
N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide has a molecular weight of 532.13 g/mol, XLogP of 6.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 87914884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).