1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid

C16H30N2O3 — CID 106743882

IUPAC1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCCCCN(CCCC)C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C16H30N2O3/c1-4-6-9-17(10-7-5-2)16(21)18-11-8-14(15(19)20)12-13(18)3/h13-14H,4-12H2,1-3H3,(H,19,20)
InChIKeyQWPBBPNZIDWHIK-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.19
Rot. Bonds7

About 1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid

1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106743882) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106743882
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCCCCN(CCCC)C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C16H30N2O3/c1-4-6-9-17(10-7-5-2)16(21)18-11-8-14(15(19)20)12-13(18)3/h13-14H,4-12H2,1-3H3,(H,19,20)
InChIKeyQWPBBPNZIDWHIK-UHFFFAOYSA-N
XLogP3.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744036
1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382684
1-butanoyl-2-methylpiperidine-4-carboxylic acid
CID 106741752
1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744155
1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106744100
1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid
CID 106741697
2-methyl-1-(octan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106744119
cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744091
1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430130
2-methyl-1-octylpiperidine-4-carboxylic acid
CID 106744771
1-heptyl-2-methylpiperidine-4-carboxylic acid
CID 106744769

Frequently Asked Questions

What is the IUPAC name of 1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid (CID 106743882) is 1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid is CCCCN(CCCC)C(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is QWPBBPNZIDWHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-6-9-17(10-7-5-2)16(21)18-11-8-14(15(19)20)12-13(18)3/h13-14H,4-12H2,1-3H3,(H,19,20).
What are the key properties of 1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid?
1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106743882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).