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

C17H31N3O — CID 29151861

IUPAC(4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
SMILESCN1CCC(N[C@H]2CC(=O)N(C3CCCCCC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-19-10-8-14(9-11-19)18-15-12-17(21)20(13-15)16-6-4-2-3-5-7-16/h14-16,18H,2-13H2,1H3/t15-/m0/s1
InChIKeyOGMSHHZXRPJFSN-HNNXBMFYSA-N
MW293.45 g/mol
LogP1.99
Rot. Bonds3

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

(4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 29151861) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is (4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
PubChem CID29151861
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name(4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
SMILESCN1CCC(N[C@H]2CC(=O)N(C3CCCCCC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-19-10-8-14(9-11-19)18-15-12-17(21)20(13-15)16-6-4-2-3-5-7-16/h14-16,18H,2-13H2,1H3/t15-/m0/s1
InChIKeyOGMSHHZXRPJFSN-HNNXBMFYSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-Aza-bicyclo[3.2.1]oct-3-yl)-acetamide
CID 652782
cis-N-[2-(2,6-dimethyl-1-piperidinyl)ethyl]-2-oxo-1-pyrrolidineacetamide
CID 44374502
N-[2-(2,6-dimethyl-1-piperidinyl)ethyl]-2-(2-methyl-5-oxo-1-pyrrolidinyl)acetamide
CID 44374529
1-(Piperidin-3-yl)pyrrolidin-2-one
CID 24689384
1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 3236747
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 21327793
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 21327810
N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374491
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(2-ethyl-5-oxopyrrolidin-1-yl)acetamide
CID 44374530
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 44374571
N-[4-(2,6-dimethylpiperidin-1-yl)butyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374676
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374687

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one (CID 29151861) is (4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one is CN1CCC(N[C@H]2CC(=O)N(C3CCCCCC3)C2)CC1.
What is the InChIKey of (4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is OGMSHHZXRPJFSN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-19-10-8-14(9-11-19)18-15-12-17(21)20(13-15)16-6-4-2-3-5-7-16/h14-16,18H,2-13H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one?
(4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 293.45 g/mol, XLogP of 1.99, 3 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-methylpiperidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 29151861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).