N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide

C22H30N4O2 — CID 45200288

IUPACN-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C22H30N4O2/c1-17(2)26(16-20-23-12-14-24(20)3)22(28)19-9-10-21(27)25(15-19)13-11-18-7-5-4-6-8-18/h4-8,12,14,17,19H,9-11,13,15-16H2,1-3H3
InChIKeyVRAOPXIQMSWBFW-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.64
Rot. Bonds7

About N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 45200288) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID45200288
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C22H30N4O2/c1-17(2)26(16-20-23-12-14-24(20)3)22(28)19-9-10-21(27)25(15-19)13-11-18-7-5-4-6-8-18/h4-8,12,14,17,19H,9-11,13,15-16H2,1-3H3
InChIKeyVRAOPXIQMSWBFW-UHFFFAOYSA-N
XLogP2.64
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide (CID 45200288) is N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide is CC(C)N(Cc1nccn1C)C(=O)C1CCC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is VRAOPXIQMSWBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17(2)26(16-20-23-12-14-24(20)3)22(28)19-9-10-21(27)25(15-19)13-11-18-7-5-4-6-8-18/h4-8,12,14,17,19H,9-11,13,15-16H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 45200288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).