1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid

C20H30N2O3 — CID 122000188

IUPAC1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCCc1ccc(C(NC(=O)N2CCC(C(=O)O)CC2)C(C)C)cc1
InChIInChI=1S/C20H30N2O3/c1-4-5-15-6-8-16(9-7-15)18(14(2)3)21-20(25)22-12-10-17(11-13-22)19(23)24/h6-9,14,17-18H,4-5,10-13H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyVPWHSYXADOYWAM-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.84
Rot. Bonds6

About 1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid

1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122000188) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122000188
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCCc1ccc(C(NC(=O)N2CCC(C(=O)O)CC2)C(C)C)cc1
InChIInChI=1S/C20H30N2O3/c1-4-5-15-6-8-16(9-7-15)18(14(2)3)21-20(25)22-12-10-17(11-13-22)19(23)24/h6-9,14,17-18H,4-5,10-13H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyVPWHSYXADOYWAM-UHFFFAOYSA-N
XLogP3.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid
CID 122031119
1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide
CID 25469814
4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide
CID 41200367
N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide
CID 119273047
3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide
CID 119692874
1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 122011951
N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 42953350
(2R)-2-amino-N-[2-methyl-1-(4-propylphenyl)propyl]propanamide
CID 119273049
3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide
CID 111443553
1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 61478723
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745968

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid (CID 122000188) is 1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid is CCCc1ccc(C(NC(=O)N2CCC(C(=O)O)CC2)C(C)C)cc1.
What is the InChIKey of 1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is VPWHSYXADOYWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-5-15-6-8-16(9-7-15)18(14(2)3)21-20(25)22-12-10-17(11-13-22)19(23)24/h6-9,14,17-18H,4-5,10-13H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 346.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122000188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).