[5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

C18H26ClN3O2 — CID 133496446

IUPAC[5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NC2CCCC2CCO)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C18H26ClN3O2/c19-15-11-14(18(24)22-8-2-1-3-9-22)12-20-17(15)21-16-6-4-5-13(16)7-10-23/h11-13,16,23H,1-10H2,(H,20,21)
InChIKeyCCIZTIHLCXLOCL-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.32
Rot. Bonds5

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

[5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133496446) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is [5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133496446
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name[5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NC2CCCC2CCO)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C18H26ClN3O2/c19-15-11-14(18(24)22-8-2-1-3-9-22)12-20-17(15)21-16-6-4-5-13(16)7-10-23/h11-13,16,23H,1-10H2,(H,20,21)
InChIKeyCCIZTIHLCXLOCL-UHFFFAOYSA-N
XLogP3.32
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone 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

[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
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-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133376285
[5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270949
(5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62233957
[5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133330028
[5-chloro-6-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133399112
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592
(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55247680
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587654

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133496446) is [5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cnc(NC2CCCC2CCO)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is CCIZTIHLCXLOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c19-15-11-14(18(24)22-8-2-1-3-9-22)12-20-17(15)21-16-6-4-5-13(16)7-10-23/h11-13,16,23H,1-10H2,(H,20,21).
What are the key properties of [5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 351.88 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133496446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).