[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone

C20H31ClN4O — CID 56587654

IUPAC[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(CNc1ncc(C(=O)N2CCCCC2)cc1Cl)CN1CCCCC1
InChIInChI=1S/C20H31ClN4O/c1-16(15-24-8-4-2-5-9-24)13-22-19-18(21)12-17(14-23-19)20(26)25-10-6-3-7-11-25/h12,14,16H,2-11,13,15H2,1H3,(H,22,23)
InChIKeyKOZKWFHPTPRKRT-UHFFFAOYSA-N
MW378.95 g/mol
LogP3.89
Rot. Bonds6

About [5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 56587654) has the molecular formula C20H31ClN4O and a molecular weight of 378.95 g/mol. Its IUPAC name is [5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID56587654
Molecular FormulaC20H31ClN4O
Molecular Weight378.95 g/mol
Exact Mass378.22
IUPAC Name[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(CNc1ncc(C(=O)N2CCCCC2)cc1Cl)CN1CCCCC1
InChIInChI=1S/C20H31ClN4O/c1-16(15-24-8-4-2-5-9-24)13-22-19-18(21)12-17(14-23-19)20(26)25-10-6-3-7-11-25/h12,14,16H,2-11,13,15H2,1H3,(H,22,23)
InChIKeyKOZKWFHPTPRKRT-UHFFFAOYSA-N
XLogP3.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
CID 103582417
[5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56585261
[5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 128945642
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
[5-chloro-6-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56585111
[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270733
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 56587654) is [5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is CC(CNc1ncc(C(=O)N2CCCCC2)cc1Cl)CN1CCCCC1.
What is the InChIKey of [5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is KOZKWFHPTPRKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN4O/c1-16(15-24-8-4-2-5-9-24)13-22-19-18(21)12-17(14-23-19)20(26)25-10-6-3-7-11-25/h12,14,16H,2-11,13,15H2,1H3,(H,22,23).
What are the key properties of [5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 378.95 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56587654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).