(2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide

C11H18N4O — CID 104914790

IUPAC(2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCCN1)c1ncc[nH]1
InChIInChI=1S/C11H18N4O/c1-8(10-13-6-7-14-10)15-11(16)9-4-2-3-5-12-9/h6-9,12H,2-5H2,1H3,(H,13,14)(H,15,16)/t8?,9-/m0/s1
InChIKeyZBEZLBOTUSPOER-GKAPJAKFSA-N
MW222.29 g/mol
LogP0.73
Rot. Bonds3

About (2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide

(2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 104914790) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide
PubChem CID104914790
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCCN1)c1ncc[nH]1
InChIInChI=1S/C11H18N4O/c1-8(10-13-6-7-14-10)15-11(16)9-4-2-3-5-12-9/h6-9,12H,2-5H2,1H3,(H,13,14)(H,15,16)/t8?,9-/m0/s1
InChIKeyZBEZLBOTUSPOER-GKAPJAKFSA-N
XLogP0.73
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide
CID 104914789
(2R)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 104901495
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103814463
(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 103813258
N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide
CID 64570760
N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107180579
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-2-carboxamide
CID 114182398
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide (CID 104914790) is (2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide is CC(NC(=O)[C@@H]1CCCCN1)c1ncc[nH]1.
What is the InChIKey of (2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is ZBEZLBOTUSPOER-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(10-13-6-7-14-10)15-11(16)9-4-2-3-5-12-9/h6-9,12H,2-5H2,1H3,(H,13,14)(H,15,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide?
(2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 104914790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).