(4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one

C20H33N5O — CID 97436882

IUPAC(4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one
SMILESCCn1nc(CC2CCN(C)CC2)nc1[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C20H33N5O/c1-3-25-20(16-13-19(26)24(14-16)17-6-4-5-7-17)21-18(22-25)12-15-8-10-23(2)11-9-15/h15-17H,3-14H2,1-2H3/t16-/m0/s1
InChIKeyFZUWMMSPQKMSGA-INIZCTEOSA-N
MW359.52 g/mol
LogP2.44
Rot. Bonds5

About (4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one

(4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one (PubChem CID 97436882) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is (4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one
PubChem CID97436882
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name(4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one
SMILESCCn1nc(CC2CCN(C)CC2)nc1[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C20H33N5O/c1-3-25-20(16-13-19(26)24(14-16)17-6-4-5-7-17)21-18(22-25)12-15-8-10-23(2)11-9-15/h15-17H,3-14H2,1-2H3/t16-/m0/s1
InChIKeyFZUWMMSPQKMSGA-INIZCTEOSA-N
XLogP2.44
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one (CID 97436882) is (4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one is CCn1nc(CC2CCN(C)CC2)nc1[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one?
The InChIKey is FZUWMMSPQKMSGA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H33N5O/c1-3-25-20(16-13-19(26)24(14-16)17-6-4-5-7-17)21-18(22-25)12-15-8-10-23(2)11-9-15/h15-17H,3-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one?
(4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one has a molecular weight of 359.52 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopentyl-4-[2-ethyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 97436882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).