N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide

C11H18N4O — CID 65232472

IUPACN-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CCCCN1
InChIInChI=1S/C11H18N4O/c16-11(10-3-1-2-5-13-10)14-6-4-9-7-12-8-15-9/h7-8,10,13H,1-6H2,(H,12,15)(H,14,16)
InChIKeyIYAVPOAMGAFBNK-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.21
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide (PubChem CID 65232472) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide
PubChem CID65232472
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CCCCN1
InChIInChI=1S/C11H18N4O/c16-11(10-3-1-2-5-13-10)14-6-4-9-7-12-8-15-9/h7-8,10,13H,1-6H2,(H,12,15)(H,14,16)
InChIKeyIYAVPOAMGAFBNK-UHFFFAOYSA-N
XLogP0.21
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 15296546
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
CID 65232091
N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64982967
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143
N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77061490
N-[2-(1H-imidazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 23378535
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
(2S)-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 122581370
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402
(2S)-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 91975220
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 110462344
(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoic acid
CID 102094819

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide (CID 65232472) is N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide is O=C(NCCc1cnc[nH]1)C1CCCCN1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is IYAVPOAMGAFBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c16-11(10-3-1-2-5-13-10)14-6-4-9-7-12-8-15-9/h7-8,10,13H,1-6H2,(H,12,15)(H,14,16).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 65232472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).