(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide

C15H27N3O2 — CID 103808776

IUPAC(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)[C@@H]2CCCCN2)CC1
InChIInChI=1S/C15H27N3O2/c1-11(2)15(20)18-9-6-12(7-10-18)17-14(19)13-5-3-4-8-16-13/h11-13,16H,3-10H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyNAWNKTQXXMRJEH-ZDUSSCGKSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds3

About (2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide

(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide (PubChem CID 103808776) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide
PubChem CID103808776
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)[C@@H]2CCCCN2)CC1
InChIInChI=1S/C15H27N3O2/c1-11(2)15(20)18-9-6-12(7-10-18)17-14(19)13-5-3-4-8-16-13/h11-13,16H,3-10H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyNAWNKTQXXMRJEH-ZDUSSCGKSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

(2R)-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119841057
N-cyclopentylazepane-2-carboxamide
CID 64564743
(2R)-N-(1-cyclopentylpiperidin-4-yl)piperidine-2-carboxamide;dihydrochloride
CID 119846635
N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 55149500
N-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]cyclopropanecarboxamide;hydrochloride
CID 119702485
(2R)-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 93469163
N-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]acetamide
CID 103810108
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119292041
N-(1-butylpiperidin-4-yl)azepane-2-carboxamide
CID 64561841
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119269718
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide (CID 103808776) is (2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide is CC(C)C(=O)N1CCC(NC(=O)[C@@H]2CCCCN2)CC1.
What is the InChIKey of (2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide?
The InChIKey is NAWNKTQXXMRJEH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(2)15(20)18-9-6-12(7-10-18)17-14(19)13-5-3-4-8-16-13/h11-13,16H,3-10H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide?
(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide is sourced from PubChem (CID 103808776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).