1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide

C17H29N3O2 — CID 3243689

IUPAC1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCCC1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H29N3O2/c21-16-12-14(13-20(16)15-6-2-1-3-7-15)17(22)18-8-11-19-9-4-5-10-19/h14-15H,1-13H2,(H,18,22)
InChIKeyWLSAPJFLRPXHNA-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.38
Rot. Bonds5

About 1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide

1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 3243689) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID3243689
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCCC1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H29N3O2/c21-16-12-14(13-20(16)15-6-2-1-3-7-15)17(22)18-8-11-19-9-4-5-10-19/h14-15H,1-13H2,(H,18,22)
InChIKeyWLSAPJFLRPXHNA-UHFFFAOYSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)prolinamide
CID 3236163
1-cyclohexyl-N-(3-(4-methylpiperazin-1-yl)propyl)-5-oxopyrrolidine-3-carboxamide
CID 3244366
1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3245728
1-sec-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3239387
1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 3243531
3-Pyrrolidinecarboxamide, 1-cyclohexyl-N-(1-methylpropyl)-5-oxo-
CID 3401597
1-cyclohexyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 4324334
3-Pyrrolidinecarboxamide, N,1-dicyclohexyl-5-oxo-
CID 5090456
1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17257396
1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 17257433
N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3988315

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide (CID 3243689) is 1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide is O=C(NCCN1CCCC1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is WLSAPJFLRPXHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-16-12-14(13-20(16)15-6-2-1-3-7-15)17(22)18-8-11-19-9-4-5-10-19/h14-15H,1-13H2,(H,18,22).
What are the key properties of 1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide?
1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3243689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).