N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide

C21H30N4O — CID 97192365

IUPACN-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)CC1
InChIInChI=1S/C21H30N4O/c1-17(2)25-13-8-19(9-14-25)21(26)23-20(18-6-4-3-5-7-18)10-12-24-15-11-22-16-24/h3-7,11,15-17,19-20H,8-10,12-14H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyAZVRVFVDANROKY-HXUWFJFHSA-N
MW354.50 g/mol
LogP3.25
Rot. Bonds7

About N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 97192365) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID97192365
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)CC1
InChIInChI=1S/C21H30N4O/c1-17(2)25-13-8-19(9-14-25)21(26)23-20(18-6-4-3-5-7-18)10-12-24-15-11-22-16-24/h3-7,11,15-17,19-20H,8-10,12-14H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyAZVRVFVDANROKY-HXUWFJFHSA-N
XLogP3.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 97192365) is N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)CC1.
What is the InChIKey of N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is AZVRVFVDANROKY-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H30N4O/c1-17(2)25-13-8-19(9-14-25)21(26)23-20(18-6-4-3-5-7-18)10-12-24-15-11-22-16-24/h3-7,11,15-17,19-20H,8-10,12-14H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 97192365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).