(4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one

C18H33N3O — CID 26403499

IUPAC(4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one
SMILESCCN1CCC(N[C@H]2CC(=O)N(C3CCCCCC3)C2)CC1
InChIInChI=1S/C18H33N3O/c1-2-20-11-9-15(10-12-20)19-16-13-18(22)21(14-16)17-7-5-3-4-6-8-17/h15-17,19H,2-14H2,1H3/t16-/m0/s1
InChIKeyXAMIXTKTHWUNNL-INIZCTEOSA-N
MW307.48 g/mol
LogP2.38
Rot. Bonds4

About (4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one

(4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 26403499) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is (4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one
PubChem CID26403499
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name(4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one
SMILESCCN1CCC(N[C@H]2CC(=O)N(C3CCCCCC3)C2)CC1
InChIInChI=1S/C18H33N3O/c1-2-20-11-9-15(10-12-20)19-16-13-18(22)21(14-16)17-7-5-3-4-6-8-17/h15-17,19H,2-14H2,1H3/t16-/m0/s1
InChIKeyXAMIXTKTHWUNNL-INIZCTEOSA-N
XLogP2.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 29151861
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-piperidin-1-ylacetamide
CID 45251324
1-cyclopropyl-3-[(1-ethylpiperidin-4-yl)amino]pyrrolidine-2,5-dione
CID 54917572
1-(1-ethylpiperidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669798
4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
CID 168503801
(4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 25292865
1-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 71914618
1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 97080337
1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea
CID 25281458
(4R)-1-cycloheptyl-4-(dimethylsulfamoylamino)-2-oxopyrrolidine
CID 26323883
1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696194
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 26410011

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one (CID 26403499) is (4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one is CCN1CCC(N[C@H]2CC(=O)N(C3CCCCCC3)C2)CC1.
What is the InChIKey of (4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is XAMIXTKTHWUNNL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H33N3O/c1-2-20-11-9-15(10-12-20)19-16-13-18(22)21(14-16)17-7-5-3-4-6-8-17/h15-17,19H,2-14H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one?
(4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 307.48 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 26403499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).