6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one

C22H29ClN4O — CID 176560387

IUPAC6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one
SMILESCCc1ccc([C@@H]2CCC(CN3CCN(c4ccc(Cl)cn4)CC3)C2)[nH]c1=O
InChIInChI=1S/C22H29ClN4O/c1-2-17-5-7-20(25-22(17)28)18-4-3-16(13-18)15-26-9-11-27(12-10-26)21-8-6-19(23)14-24-21/h5-8,14,16,18H,2-4,9-13,15H2,1H3,(H,25,28)/t16?,18-/m1/s1
InChIKeyLDMTVRCRJLDCBK-UHUGOGIASA-N
MW400.95 g/mol
LogP3.69
Rot. Bonds5

About 6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one

6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one (PubChem CID 176560387) has the molecular formula C22H29ClN4O and a molecular weight of 400.95 g/mol. Its IUPAC name is 6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one
PubChem CID176560387
Molecular FormulaC22H29ClN4O
Molecular Weight400.95 g/mol
Exact Mass400.20
IUPAC Name6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one
SMILESCCc1ccc([C@@H]2CCC(CN3CCN(c4ccc(Cl)cn4)CC3)C2)[nH]c1=O
InChIInChI=1S/C22H29ClN4O/c1-2-17-5-7-20(25-22(17)28)18-4-3-16(13-18)15-26-9-11-27(12-10-26)21-8-6-19(23)14-24-21/h5-8,14,16,18H,2-4,9-13,15H2,1H3,(H,25,28)/t16?,18-/m1/s1
InChIKeyLDMTVRCRJLDCBK-UHUGOGIASA-N
XLogP3.69
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one?
The IUPAC name of 6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one (CID 176560387) is 6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one?
The canonical SMILES for 6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one is CCc1ccc([C@@H]2CCC(CN3CCN(c4ccc(Cl)cn4)CC3)C2)[nH]c1=O.
What is the InChIKey of 6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one?
The InChIKey is LDMTVRCRJLDCBK-UHUGOGIASA-N. The full InChI is InChI=1S/C22H29ClN4O/c1-2-17-5-7-20(25-22(17)28)18-4-3-16(13-18)15-26-9-11-27(12-10-26)21-8-6-19(23)14-24-21/h5-8,14,16,18H,2-4,9-13,15H2,1H3,(H,25,28)/t16?,18-/m1/s1.
What are the key properties of 6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one?
6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one has a molecular weight of 400.95 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 176560387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).