1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide

C15H30N2O — CID 174980443

IUPAC1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide
SMILESCCCC(CCC)N1CCCC(C(=O)N(C)C)C1
InChIInChI=1S/C15H30N2O/c1-5-8-14(9-6-2)17-11-7-10-13(12-17)15(18)16(3)4/h13-14H,5-12H2,1-4H3
InChIKeyCIWNJMYMORPWRE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.76
Rot. Bonds6

About 1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide

1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 174980443) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide
PubChem CID174980443
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide
SMILESCCCC(CCC)N1CCCC(C(=O)N(C)C)C1
InChIInChI=1S/C15H30N2O/c1-5-8-14(9-6-2)17-11-7-10-13(12-17)15(18)16(3)4/h13-14H,5-12H2,1-4H3
InChIKeyCIWNJMYMORPWRE-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-pentanoylpiperidine-3-carboxamide
CID 60601624
1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide
CID 111487608
N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide
CID 153039047
propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate
CID 177326825
N,N-dimethyl-1-(oxiran-2-ylmethyl)piperidine-3-carboxamide
CID 102548593
1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide
CID 58877729
1-hexan-3-yl-N,N-dimethylpiperidin-3-amine
CID 143456781
(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324
1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110931950
1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56526123
N,N-dimethyl-1-prop-1-en-2-ylpiperidine-3-carboxamide;ethane
CID 177327317

Frequently Asked Questions

What is the IUPAC name of 1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide (CID 174980443) is 1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide is CCCC(CCC)N1CCCC(C(=O)N(C)C)C1.
What is the InChIKey of 1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is CIWNJMYMORPWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-8-14(9-6-2)17-11-7-10-13(12-17)15(18)16(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide?
1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 174980443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).