N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide

C15H27N3O2 — CID 61163792

IUPACN-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C15H27N3O2/c1-2-3-8-17-14(19)12-6-10-18(11-7-12)15(20)13-5-4-9-16-13/h12-13,16H,2-11H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyXIWIOQMUSUHIEQ-ZDUSSCGKSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds5

About N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide

N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 61163792) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
PubChem CID61163792
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C15H27N3O2/c1-2-3-8-17-14(19)12-6-10-18(11-7-12)15(20)13-5-4-9-16-13/h12-13,16H,2-11H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyXIWIOQMUSUHIEQ-ZDUSSCGKSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide
CID 119311468
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119720622
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119289702
N-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxamide
CID 93173904
N-propyl-1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxamide
CID 119278298
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
CID 82897685
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
(E)-4-[4-(butylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 60948862

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide (CID 61163792) is N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1.
What is the InChIKey of N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is XIWIOQMUSUHIEQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-3-8-17-14(19)12-6-10-18(11-7-12)15(20)13-5-4-9-16-13/h12-13,16H,2-11H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 61163792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).