N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide

C13H22N2O — CID 114429394

IUPACN,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN(CC)C(=O)C1CC(CC)CCN1
InChIInChI=1S/C13H22N2O/c1-4-9-15(6-3)13(16)12-10-11(5-2)7-8-14-12/h1,11-12,14H,5-10H2,2-3H3
InChIKeyMVCZQZRAWMBNGD-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.25
Rot. Bonds4

About N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide

N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide (PubChem CID 114429394) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide
PubChem CID114429394
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN(CC)C(=O)C1CC(CC)CCN1
InChIInChI=1S/C13H22N2O/c1-4-9-15(6-3)13(16)12-10-11(5-2)7-8-14-12/h1,11-12,14H,5-10H2,2-3H3
InChIKeyMVCZQZRAWMBNGD-UHFFFAOYSA-N
XLogP1.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibutyl-4-ethylpiperidine-2-carboxamide
CID 114428005
N,4-diethyl-N-(oxolan-3-ylmethyl)piperidine-2-carboxamide
CID 114428566
N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 102779892
2-[cyclopropylmethyl-(4-ethylpiperidine-2-carbonyl)amino]acetic acid
CID 114428663
N-ethyl-N-prop-2-ynylcyclopropanecarboxamide
CID 78970835
N,N-diethyl-4-heptylpiperidine-2-carboxamide
CID 106778380
N-butan-2-yl-N,4-diethylpiperidine-2-carboxamide
CID 114428039
4-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]piperidine-2-carboxamide
CID 114429063
2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 114429250
N-ethyl-N-prop-2-ynylcyclopentanecarboxamide
CID 78970864
N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 114428396
N-[1-(dimethylamino)propan-2-yl]-N,4-diethylpiperidine-2-carboxamide
CID 103188614

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide?
The IUPAC name of N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide (CID 114429394) is N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide.
What is the SMILES notation for N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide?
The canonical SMILES for N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide is C#CCN(CC)C(=O)C1CC(CC)CCN1.
What is the InChIKey of N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide?
The InChIKey is MVCZQZRAWMBNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-9-15(6-3)13(16)12-10-11(5-2)7-8-14-12/h1,11-12,14H,5-10H2,2-3H3.
What are the key properties of N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide?
N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide is sourced from PubChem (CID 114429394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).