[5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone

C20H31ClN4O2 — CID 128945642

IUPAC[5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)C(CNc1ncc(C(=O)N2CCCCC2)cc1Cl)N1CCOCC1
InChIInChI=1S/C20H31ClN4O2/c1-15(2)18(24-8-10-27-11-9-24)14-23-19-17(21)12-16(13-22-19)20(26)25-6-4-3-5-7-25/h12-13,15,18H,3-11,14H2,1-2H3,(H,22,23)
InChIKeyWVRKBZZYENDYRC-UHFFFAOYSA-N
MW394.95 g/mol
LogP3.13
Rot. Bonds6

About [5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 128945642) has the molecular formula C20H31ClN4O2 and a molecular weight of 394.95 g/mol. Its IUPAC name is [5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID128945642
Molecular FormulaC20H31ClN4O2
Molecular Weight394.95 g/mol
Exact Mass394.21
IUPAC Name[5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)C(CNc1ncc(C(=O)N2CCCCC2)cc1Cl)N1CCOCC1
InChIInChI=1S/C20H31ClN4O2/c1-15(2)18(24-8-10-27-11-9-24)14-23-19-17(21)12-16(13-22-19)20(26)25-6-4-3-5-7-25/h12-13,15,18H,3-11,14H2,1-2H3,(H,22,23)
InChIKeyWVRKBZZYENDYRC-UHFFFAOYSA-N
XLogP3.13
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56585261
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587654
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273383
3-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-2-hydroxy-N-methylpropanamide
CID 126813265
[6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 164632757
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133294989
[5-chloro-6-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56585111

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 128945642) is [5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is CC(C)C(CNc1ncc(C(=O)N2CCCCC2)cc1Cl)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is WVRKBZZYENDYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN4O2/c1-15(2)18(24-8-10-27-11-9-24)14-23-19-17(21)12-16(13-22-19)20(26)25-6-4-3-5-7-25/h12-13,15,18H,3-11,14H2,1-2H3,(H,22,23).
What are the key properties of [5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 394.95 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 128945642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).