N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide

C16H32N2O — CID 116656850

IUPACN-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)N1CCCC(C)C1
InChIInChI=1S/C16H32N2O/c1-5-6-7-10-16(3,4)13-17-15(19)18-11-8-9-14(2)12-18/h14H,5-13H2,1-4H3,(H,17,19)
InChIKeyFDNVUCGPYGVMQV-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.03
Rot. Bonds6

About N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide

N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide (PubChem CID 116656850) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide
PubChem CID116656850
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)N1CCCC(C)C1
InChIInChI=1S/C16H32N2O/c1-5-6-7-10-16(3,4)13-17-15(19)18-11-8-9-14(2)12-18/h14H,5-13H2,1-4H3,(H,17,19)
InChIKeyFDNVUCGPYGVMQV-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide
CID 111507279
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpiperidine-1-carboxamide
CID 79160357
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 110903346
1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone
CID 109005936
3-methyl-N-(2,2,4-trimethyl-4-sulfanylpentyl)pyrrolidine-1-carboxamide
CID 155742876
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-carboxamide
CID 106115923
3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66176994

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide (CID 116656850) is N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide is CCCCCC(C)(C)CNC(=O)N1CCCC(C)C1.
What is the InChIKey of N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is FDNVUCGPYGVMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-6-7-10-16(3,4)13-17-15(19)18-11-8-9-14(2)12-18/h14H,5-13H2,1-4H3,(H,17,19).
What are the key properties of N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide?
N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 116656850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).