1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide

C18H24N4O — CID 118776458

IUPAC1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C18H24N4O/c1-21-13-17(19-14-21)18(23)20-16-8-11-22(12-9-16)10-7-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3,(H,20,23)
InChIKeyVRCIEIOSPNPSAU-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.86
Rot. Bonds5

About 1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide

1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide (PubChem CID 118776458) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide
PubChem CID118776458
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C18H24N4O/c1-21-13-17(19-14-21)18(23)20-16-8-11-22(12-9-16)10-7-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3,(H,20,23)
InChIKeyVRCIEIOSPNPSAU-UHFFFAOYSA-N
XLogP1.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043011
2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 175649732
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylimidazole-4-carboxamide
CID 107972234
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide
CID 45229509
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide
CID 53156847
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methylimidazole-4-carboxamide
CID 122138262
1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 112823781
(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119844586

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide (CID 118776458) is 1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide is Cn1cnc(C(=O)NC2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of 1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide?
The InChIKey is VRCIEIOSPNPSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-13-17(19-14-21)18(23)20-16-8-11-22(12-9-16)10-7-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3,(H,20,23).
What are the key properties of 1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide?
1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide is sourced from PubChem (CID 118776458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).