N,N-diethyl-4-heptylpiperidine-2-carboxamide

C17H34N2O — CID 106778380

IUPACN,N-diethyl-4-heptylpiperidine-2-carboxamide
SMILESCCCCCCCC1CCNC(C(=O)N(CC)CC)C1
InChIInChI=1S/C17H34N2O/c1-4-7-8-9-10-11-15-12-13-18-16(14-15)17(20)19(5-2)6-3/h15-16,18H,4-14H2,1-3H3
InChIKeySJTNRNUCSMZBHU-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.58
Rot. Bonds9

About N,N-diethyl-4-heptylpiperidine-2-carboxamide

N,N-diethyl-4-heptylpiperidine-2-carboxamide (PubChem CID 106778380) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N,N-diethyl-4-heptylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-heptylpiperidine-2-carboxamide
PubChem CID106778380
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN,N-diethyl-4-heptylpiperidine-2-carboxamide
SMILESCCCCCCCC1CCNC(C(=O)N(CC)CC)C1
InChIInChI=1S/C17H34N2O/c1-4-7-8-9-10-11-15-12-13-18-16(14-15)17(20)19(5-2)6-3/h15-16,18H,4-14H2,1-3H3
InChIKeySJTNRNUCSMZBHU-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-octylpiperidine-2-carboxamide
CID 106778464
4-hexyl-N,N-dimethylpiperidine-2-carboxamide
CID 106778401
(2S,4R)-4-hexylpiperidine-2-carboxamide
CID 142863438
N,N-dibutyl-4-ethylpiperidine-2-carboxamide
CID 114428005
N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide
CID 114429394
4-tert-butyl-N,N-diethylpiperidine-2-carboxamide
CID 106778925
N,4-diethyl-N-(oxolan-3-ylmethyl)piperidine-2-carboxamide
CID 114428566
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide
CID 102327285
N,N-diethyl-4-(oxan-4-yl)piperidine-2-carboxamide
CID 106778947
(2S)-N,N-dipentylpyrrolidine-2-carboxamide
CID 61165096
N-butyl-N-(2-hydroxyethyl)-4-methylpiperidine-2-carboxamide
CID 114423393

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-heptylpiperidine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-heptylpiperidine-2-carboxamide (CID 106778380) is N,N-diethyl-4-heptylpiperidine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-heptylpiperidine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-heptylpiperidine-2-carboxamide is CCCCCCCC1CCNC(C(=O)N(CC)CC)C1.
What is the InChIKey of N,N-diethyl-4-heptylpiperidine-2-carboxamide?
The InChIKey is SJTNRNUCSMZBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-7-8-9-10-11-15-12-13-18-16(14-15)17(20)19(5-2)6-3/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N,N-diethyl-4-heptylpiperidine-2-carboxamide?
N,N-diethyl-4-heptylpiperidine-2-carboxamide has a molecular weight of 282.47 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-heptylpiperidine-2-carboxamide is sourced from PubChem (CID 106778380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).