N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide

C14H25N3O2 — CID 106611873

IUPACN-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)C1CNC(=O)C1
InChIInChI=1S/C14H25N3O2/c1-2-3-7-17(10-12-5-4-6-15-12)14(19)11-8-13(18)16-9-11/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeySIRCTCSOKLQOBY-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.50
Rot. Bonds6

About N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide

N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 106611873) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID106611873
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)C1CNC(=O)C1
InChIInChI=1S/C14H25N3O2/c1-2-3-7-17(10-12-5-4-6-15-12)14(19)11-8-13(18)16-9-11/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeySIRCTCSOKLQOBY-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide
CID 106612077
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclobutanecarboxamide
CID 106610516
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384
5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 106626364
N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide
CID 106612018
N-(piperidin-2-ylmethyl)-N-propylcyclooctanecarboxamide
CID 106625676
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
N-(2-hydroxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106612534
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
N-(piperidin-2-ylmethyl)-N-propylbicyclo[3.1.0]hexane-3-carboxamide
CID 106625572
N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 112729310
N-butyl-2-hydroxy-6-oxo-N-(pyrrolidin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 106611964

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 106611873) is N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide is CCCCN(CC1CCCN1)C(=O)C1CNC(=O)C1.
What is the InChIKey of N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is SIRCTCSOKLQOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-3-7-17(10-12-5-4-6-15-12)14(19)11-8-13(18)16-9-11/h11-12,15H,2-10H2,1H3,(H,16,18).
What are the key properties of N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide?
N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106611873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).