N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide

C14H25N3O2 — CID 53015059

IUPACN-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(C(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C14H25N3O2/c1-10(2)16-13(18)11-5-4-8-17(9-11)14(19)12-6-3-7-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,18)/t11?,12-/m1/s1
InChIKeyJBYIUVOBYBPRCN-PIJUOVFKSA-N
MW267.37 g/mol
LogP0.50
Rot. Bonds3

About N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide

N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide (PubChem CID 53015059) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide
PubChem CID53015059
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(C(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C14H25N3O2/c1-10(2)16-13(18)11-5-4-8-17(9-11)14(19)12-6-3-7-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,18)/t11?,12-/m1/s1
InChIKeyJBYIUVOBYBPRCN-PIJUOVFKSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-methyl-1-[(2S)-piperidine-2-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119783429
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
(3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 81125629
(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
CID 130238024
N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
CID 118678826
N-(cyclopropylmethyl)-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 119289774
N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119289763
1-(morpholine-3-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119763218
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide
CID 119311468
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide (CID 53015059) is N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide is CC(C)NC(=O)C1CCCN(C(=O)[C@H]2CCCN2)C1.
What is the InChIKey of N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is JBYIUVOBYBPRCN-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)16-13(18)11-5-4-8-17(9-11)14(19)12-6-3-7-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,18)/t11?,12-/m1/s1.
What are the key properties of N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide?
N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 53015059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).