4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid

C14H26N2O3 — CID 114424090

IUPAC4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid
SMILESCC(CCNC(=O)C1CC(C)CCN1)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(3-4-13(17)18)5-8-16-14(19)12-9-11(2)6-7-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNPAVBXALNMBMQT-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.38
Rot. Bonds7

About 4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid

4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid (PubChem CID 114424090) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid
PubChem CID114424090
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid
SMILESCC(CCNC(=O)C1CC(C)CCN1)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(3-4-13(17)18)5-8-16-14(19)12-9-11(2)6-7-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNPAVBXALNMBMQT-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 114424091
4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 79384720
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
N-(2-methoxypropyl)-4-methylpiperidine-2-carboxamide
CID 102695128
4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide
CID 114423872
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
CID 130551928
4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide
CID 114424521
4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104901378
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide
CID 114424240
4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide
CID 106186997
4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
CID 82688811

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid (CID 114424090) is 4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid is CC(CCNC(=O)C1CC(C)CCN1)CCC(=O)O.
What is the InChIKey of 4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid?
The InChIKey is NPAVBXALNMBMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(3-4-13(17)18)5-8-16-14(19)12-9-11(2)6-7-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid?
4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 114424090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).