1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid

C18H25N3O4 — CID 122077567

IUPAC1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCC(C)NC(=O)c1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25N3O4/c1-3-12(2)19-16(22)13-4-6-15(7-5-13)20-18(25)21-10-8-14(9-11-21)17(23)24/h4-7,12,14H,3,8-11H2,1-2H3,(H,19,22)(H,20,25)(H,23,24)
InChIKeyPHICUMGNILALHC-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.54
Rot. Bonds5

About 1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid

1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122077567) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122077567
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCC(C)NC(=O)c1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25N3O4/c1-3-12(2)19-16(22)13-4-6-15(7-5-13)20-18(25)21-10-8-14(9-11-21)17(23)24/h4-7,12,14H,3,8-11H2,1-2H3,(H,19,22)(H,20,25)(H,23,24)
InChIKeyPHICUMGNILALHC-UHFFFAOYSA-N
XLogP2.54
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122077559
(2S,6S)-N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 100847173
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122088784
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031650
4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 95116221
N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532
N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 3242998
1-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075376
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid (CID 122077567) is 1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid is CCC(C)NC(=O)c1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is PHICUMGNILALHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-3-12(2)19-16(22)13-4-6-15(7-5-13)20-18(25)21-10-8-14(9-11-21)17(23)24/h4-7,12,14H,3,8-11H2,1-2H3,(H,19,22)(H,20,25)(H,23,24).
What are the key properties of 1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122077567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).