(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide

C17H26N2O — CID 104913230

IUPAC(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C17H26N2O/c1-3-14(2)19(13-15-9-5-4-6-10-15)17(20)16-11-7-8-12-18-16/h4-6,9-10,14,16,18H,3,7-8,11-13H2,1-2H3/t14?,16-/m0/s1
InChIKeyKOQAPQAOUJPTSF-WMCAAGNKSA-N
MW274.41 g/mol
LogP2.96
Rot. Bonds5

About (2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide

(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide (PubChem CID 104913230) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide
PubChem CID104913230
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C17H26N2O/c1-3-14(2)19(13-15-9-5-4-6-10-15)17(20)16-11-7-8-12-18-16/h4-6,9-10,14,16,18H,3,7-8,11-13H2,1-2H3/t14?,16-/m0/s1
InChIKeyKOQAPQAOUJPTSF-WMCAAGNKSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-cyclopropylpiperidine-2-carboxamide
CID 43579225
N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide
CID 79389006
N-benzyl-N-propylazepane-2-carboxamide
CID 64564177
N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide
CID 69351307
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 54873750
(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
CID 104913263
N-benzyl-N-butan-2-yl-4-methylpyrrolidine-3-carboxamide
CID 63714137
N-benzyl-3-piperidin-2-yl-N-propan-2-ylpropanamide
CID 62212408
N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 119688848
N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide
CID 64563430

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide (CID 104913230) is (2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide is CCC(C)N(Cc1ccccc1)C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide?
The InChIKey is KOQAPQAOUJPTSF-WMCAAGNKSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-14(2)19(13-15-9-5-4-6-10-15)17(20)16-11-7-8-12-18-16/h4-6,9-10,14,16,18H,3,7-8,11-13H2,1-2H3/t14?,16-/m0/s1.
What are the key properties of (2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide?
(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 104913230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).