1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid

C18H26N2O3 — CID 122000468

IUPAC1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCCCCc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c21-17(22)16-10-13-20(14-11-16)18(23)19-12-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,23)(H,21,22)
InChIKeyPKUCEQIUCDVLRC-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.91
Rot. Bonds7

About 1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid

1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 122000468) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID122000468
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCCCCc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c21-17(22)16-10-13-20(14-11-16)18(23)19-12-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,23)(H,21,22)
InChIKeyPKUCEQIUCDVLRC-UHFFFAOYSA-N
XLogP2.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
1-[4-(4-nitrophenyl)butylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122003141
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide
CID 87036562
1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122008421
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 108874824
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid (CID 122000468) is 1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCCCCCc2ccccc2)CC1.
What is the InChIKey of 1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is PKUCEQIUCDVLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17(22)16-10-13-20(14-11-16)18(23)19-12-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,23)(H,21,22).
What are the key properties of 1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid?
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 318.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122000468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).