N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide

C13H27N3O — CID 102976075

IUPACN-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide
SMILESCCN(CCCN(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C13H27N3O/c1-4-15(12-8-9-14(2)3)13(17)16-10-6-5-7-11-16/h4-12H2,1-3H3
InChIKeySAVQTFOWPFZXAZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.87
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide

N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 102976075) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide
PubChem CID102976075
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide
SMILESCCN(CCCN(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C13H27N3O/c1-4-15(12-8-9-14(2)3)13(17)16-10-6-5-7-11-16/h4-12H2,1-3H3
InChIKeySAVQTFOWPFZXAZ-UHFFFAOYSA-N
XLogP1.87
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
CID 103101659
1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid
CID 113468850
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 102995442
N,N-bis(2-methylpropyl)piperidine-1-carboxamide
CID 115589131
N-(cyclobutylmethyl)-N-ethylazepane-1-carboxamide
CID 107397929
N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113150088
(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide
CID 174538699
N-[3-(dimethylamino)propyl]-N-ethylcarbamate
CID 57376301
N-methyl-N-pentylpyrrolidine-1-carboxamide
CID 116654215
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-ethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 115590777

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide (CID 102976075) is N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide is CCN(CCCN(C)C)C(=O)N1CCCCC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is SAVQTFOWPFZXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-15(12-8-9-14(2)3)13(17)16-10-6-5-7-11-16/h4-12H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide?
N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 102976075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).