N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide

C11H18N4O — CID 65232091

IUPACN-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CCCNC1
InChIInChI=1S/C11H18N4O/c16-11(9-2-1-4-12-6-9)14-5-3-10-7-13-8-15-10/h7-9,12H,1-6H2,(H,13,15)(H,14,16)
InChIKeyRVMORXINESEDEV-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.07
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 65232091) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID65232091
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CCCNC1
InChIInChI=1S/C11H18N4O/c16-11(9-2-1-4-12-6-9)14-5-3-10-7-13-8-15-10/h7-9,12H,1-6H2,(H,13,15)(H,14,16)
InChIKeyRVMORXINESEDEV-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
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]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]-4-piperidin-3-ylbenzamide
CID 77082920
3-(1H-imidazol-5-yl)-2-(piperidine-3-carbonylamino)propanoic acid
CID 76895478
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide
CID 65232472
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
CID 110471916
N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119842424
N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 95721087
N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72876993
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide (CID 65232091) is N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide is O=C(NCCc1cnc[nH]1)C1CCCNC1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is RVMORXINESEDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c16-11(9-2-1-4-12-6-9)14-5-3-10-7-13-8-15-10/h7-9,12H,1-6H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.07, 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-3-carboxamide is sourced from PubChem (CID 65232091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).