1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid

C15H28N2O3 — CID 106744100

IUPAC1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCCCCCC(C)NC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C15H28N2O3/c1-4-5-6-7-11(2)16-15(20)17-9-8-13(14(18)19)10-12(17)3/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyIPSUAFZPNLIPPI-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds6

About 1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid

1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744100) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106744100
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCCCCCC(C)NC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C15H28N2O3/c1-4-5-6-7-11(2)16-15(20)17-9-8-13(14(18)19)10-12(17)3/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyIPSUAFZPNLIPPI-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
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

2-methyl-1-(octan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106744119
2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106744109
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744558
1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43385834
(2R,4R)-1-(heptan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999501
1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106743882
1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 106741731
3-(octan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784683
(2S)-1-(hexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55050550
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145998
1-(2-cyclopropylpropylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106744532

Frequently Asked Questions

What is the IUPAC name of 1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid (CID 106744100) is 1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid is CCCCCC(C)NC(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is IPSUAFZPNLIPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-6-7-11(2)16-15(20)17-9-8-13(14(18)19)10-12(17)3/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid?
1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).