1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid

C19H28N2O3 — CID 122003412

IUPAC1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC(NC(=O)N1CCCC(C(=O)O)C1)C(C)(C)c1ccccc1
InChIInChI=1S/C19H28N2O3/c1-4-16(19(2,3)15-10-6-5-7-11-15)20-18(24)21-12-8-9-14(13-21)17(22)23/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyKCHWESSJLQCSPT-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.25
Rot. Bonds5

About 1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid

1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122003412) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122003412
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC(NC(=O)N1CCCC(C(=O)O)C1)C(C)(C)c1ccccc1
InChIInChI=1S/C19H28N2O3/c1-4-16(19(2,3)15-10-6-5-7-11-15)20-18(24)21-12-8-9-14(13-21)17(22)23/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyKCHWESSJLQCSPT-UHFFFAOYSA-N
XLogP3.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122010655
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 119167919
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
(3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 119174314
1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
CID 119167620
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
1-[[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000122

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122003412) is 1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid is CCC(NC(=O)N1CCCC(C(=O)O)C1)C(C)(C)c1ccccc1.
What is the InChIKey of 1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is KCHWESSJLQCSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-16(19(2,3)15-10-6-5-7-11-15)20-18(24)21-12-8-9-14(13-21)17(22)23/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 332.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122003412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).