1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid

C20H26N4O3 — CID 122005640

IUPAC1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCc2nccn2CCCc2ccccc2)C1
InChIInChI=1S/C20H26N4O3/c25-19(26)17-9-5-12-24(15-17)20(27)22-14-18-21-10-13-23(18)11-4-8-16-6-2-1-3-7-16/h1-3,6-7,10,13,17H,4-5,8-9,11-12,14-15H2,(H,22,27)(H,25,26)
InChIKeyPMPRKZJQCGVEHL-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.52
Rot. Bonds7

About 1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid

1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122005640) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122005640
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCc2nccn2CCCc2ccccc2)C1
InChIInChI=1S/C20H26N4O3/c25-19(26)17-9-5-12-24(15-17)20(27)22-14-18-21-10-13-23(18)11-4-8-16-6-2-1-3-7-16/h1-3,6-7,10,13,17H,4-5,8-9,11-12,14-15H2,(H,22,27)(H,25,26)
InChIKeyPMPRKZJQCGVEHL-UHFFFAOYSA-N
XLogP2.52
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005629
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122005626
4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid
CID 146133770
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 71975238
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide
CID 86807593
(2R)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 96570710
(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 120638608
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
1-[(1-phenyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015624
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid (CID 122005640) is 1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NCc2nccn2CCCc2ccccc2)C1.
What is the InChIKey of 1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is PMPRKZJQCGVEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-19(26)17-9-5-12-24(15-17)20(27)22-14-18-21-10-13-23(18)11-4-8-16-6-2-1-3-7-16/h1-3,6-7,10,13,17H,4-5,8-9,11-12,14-15H2,(H,22,27)(H,25,26).
What are the key properties of 1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid?
1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122005640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).