N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

C16H22N4O2 — CID 122562007

IUPACN-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCCCc1ccco1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C16H22N4O2/c21-16(19-7-1-5-14-6-3-11-22-14)20-10-2-4-13(12-20)15-17-8-9-18-15/h3,6,8-9,11,13H,1-2,4-5,7,10,12H2,(H,17,18)(H,19,21)
InChIKeySGGGALYVLJAHAA-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.52
Rot. Bonds5

About N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 122562007) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID122562007
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCCCc1ccco1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C16H22N4O2/c21-16(19-7-1-5-14-6-3-11-22-14)20-10-2-4-13(12-20)15-17-8-9-18-15/h3,6,8-9,11,13H,1-2,4-5,7,10,12H2,(H,17,18)(H,19,21)
InChIKeySGGGALYVLJAHAA-UHFFFAOYSA-N
XLogP2.52
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(1H-imidazol-2-yl)-N-[3-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 126437006
(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97319285
formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 154907745
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
(3S)-N-[3-(furan-2-ylmethylsulfanyl)propyl]-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137222493
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
CID 95968867
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 95967517
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 75451642
(3S)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 125447763
(3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide
CID 126451352
3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide
CID 136553406
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 122562007) is N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is O=C(NCCCc1ccco1)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is SGGGALYVLJAHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-16(19-7-1-5-14-6-3-11-22-14)20-10-2-4-13(12-20)15-17-8-9-18-15/h3,6,8-9,11,13H,1-2,4-5,7,10,12H2,(H,17,18)(H,19,21).
What are the key properties of N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 122562007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).