N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide

C16H26N4O2 — CID 72876993

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C16H26N4O2/c21-16(18-6-3-14-10-17-12-19-14)13-2-1-7-20(11-13)15-4-8-22-9-5-15/h10,12-13,15H,1-9,11H2,(H,17,19)(H,18,21)
InChIKeyPVSUKJDJQZILIK-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.96
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 72876993) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID72876993
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C16H26N4O2/c21-16(18-6-3-14-10-17-12-19-14)13-2-1-7-20(11-13)15-4-8-22-9-5-15/h10,12-13,15H,1-9,11H2,(H,17,19)(H,18,21)
InChIKeyPVSUKJDJQZILIK-UHFFFAOYSA-N
XLogP0.96
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72890644
(3S)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97198838
(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97135466
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
CID 65232091
(3R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 136916442
(6R)-1-(1H-imidazol-5-ylmethyl)-N-methyl-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 125019920
(3S)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40816143
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
(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97193281
[(3S)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95455770
(3R)-N-[2-(1H-imidazol-5-yl)ethyl]-1-[(4-methylphenyl)sulfonylcarbamoylamino]piperidine-3-carboxamide
CID 101074421

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide (CID 72876993) is N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide is O=C(NCCc1cnc[nH]1)C1CCCN(C2CCOCC2)C1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is PVSUKJDJQZILIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-16(18-6-3-14-10-17-12-19-14)13-2-1-7-20(11-13)15-4-8-22-9-5-15/h10,12-13,15H,1-9,11H2,(H,17,19)(H,18,21).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 72876993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).