methyl 6-(piperidine-3-carbonylamino)hexanoate

C13H24N2O3 — CID 119269488

IUPACmethyl 6-(piperidine-3-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)C1CCCNC1
InChIInChI=1S/C13H24N2O3/c1-18-12(16)7-3-2-4-9-15-13(17)11-6-5-8-14-10-11/h11,14H,2-10H2,1H3,(H,15,17)
InChIKeyKIIFTXVHHNPZKR-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.84
Rot. Bonds7

About methyl 6-(piperidine-3-carbonylamino)hexanoate

methyl 6-(piperidine-3-carbonylamino)hexanoate (PubChem CID 119269488) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 6-(piperidine-3-carbonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(piperidine-3-carbonylamino)hexanoate
PubChem CID119269488
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 6-(piperidine-3-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)C1CCCNC1
InChIInChI=1S/C13H24N2O3/c1-18-12(16)7-3-2-4-9-15-13(17)11-6-5-8-14-10-11/h11,14H,2-10H2,1H3,(H,15,17)
InChIKeyKIIFTXVHHNPZKR-UHFFFAOYSA-N
XLogP0.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 6-(piperidine-3-carbonylamino)hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
methyl 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide
CID 81128243
ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate
CID 81141597
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524
(3S)-N-hex-5-ynylpiperidine-3-carboxamide
CID 106213073
7-(pyrrolidine-3-carbonylamino)heptanoic acid
CID 63005734
N-[3-(2-hydroxyethoxy)propyl]piperidine-3-carboxamide
CID 106310691
N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119280390

Frequently Asked Questions

What is the IUPAC name of methyl 6-(piperidine-3-carbonylamino)hexanoate?
The IUPAC name of methyl 6-(piperidine-3-carbonylamino)hexanoate (CID 119269488) is methyl 6-(piperidine-3-carbonylamino)hexanoate.
What is the SMILES notation for methyl 6-(piperidine-3-carbonylamino)hexanoate?
The canonical SMILES for methyl 6-(piperidine-3-carbonylamino)hexanoate is COC(=O)CCCCCNC(=O)C1CCCNC1.
What is the InChIKey of methyl 6-(piperidine-3-carbonylamino)hexanoate?
The InChIKey is KIIFTXVHHNPZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-18-12(16)7-3-2-4-9-15-13(17)11-6-5-8-14-10-11/h11,14H,2-10H2,1H3,(H,15,17).
What are the key properties of methyl 6-(piperidine-3-carbonylamino)hexanoate?
methyl 6-(piperidine-3-carbonylamino)hexanoate has a molecular weight of 256.35 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(piperidine-3-carbonylamino)hexanoate is sourced from PubChem (CID 119269488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).