3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide

C15H30N2O — CID 63130413

IUPAC3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide
SMILESCCCCCC(C)NC(=O)C1(CC)CCCNC1
InChIInChI=1S/C15H30N2O/c1-4-6-7-9-13(3)17-14(18)15(5-2)10-8-11-16-12-15/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyVHPRTABUYNCXIW-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.85
Rot. Bonds7

About 3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide

3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide (PubChem CID 63130413) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide
PubChem CID63130413
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide
SMILESCCCCCC(C)NC(=O)C1(CC)CCCNC1
InChIInChI=1S/C15H30N2O/c1-4-6-7-9-13(3)17-14(18)15(5-2)10-8-11-16-12-15/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyVHPRTABUYNCXIW-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
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

N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide
CID 64642823
(2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid
CID 63131411
methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate
CID 63130798
N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 97027522
N-(4-hydroxypentan-2-yl)-3-propylpiperidine-3-carboxamide
CID 113376268
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide
CID 80587125
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
CID 63134948
N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 114305869
2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 63133312
3-ethyl-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 63130581
3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
CID 63142124

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide (CID 63130413) is 3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide is CCCCCC(C)NC(=O)C1(CC)CCCNC1.
What is the InChIKey of 3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide?
The InChIKey is VHPRTABUYNCXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-6-7-9-13(3)17-14(18)15(5-2)10-8-11-16-12-15/h13,16H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide?
3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 63130413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).