N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide

C16H20N2O — CID 106627592

IUPACN-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide
SMILESCN(CC1CCCNC1)C(=O)C#Cc1ccccc1
InChIInChI=1S/C16H20N2O/c1-18(13-15-8-5-11-17-12-15)16(19)10-9-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8,11-13H2,1H3
InChIKeyNKBSMESIOYGAAB-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.50
Rot. Bonds2

About N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide

N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide (PubChem CID 106627592) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide
PubChem CID106627592
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide
SMILESCN(CC1CCCNC1)C(=O)C#Cc1ccccc1
InChIInChI=1S/C16H20N2O/c1-18(13-15-8-5-11-17-12-15)16(19)10-9-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8,11-13H2,1H3
InChIKeyNKBSMESIOYGAAB-UHFFFAOYSA-N
XLogP1.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide 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

3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide
CID 106628072
benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
CID 96555658
2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 84606471
benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
CID 67098710
2-(dimethylamino)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106627954
N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71642081
N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106627941
N-methyl-N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62674551
N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide
CID 106627688
benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
CID 66569373
2-fluoro-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627734
2-chloro-5-hydroxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627741

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide?
The IUPAC name of N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide (CID 106627592) is N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide.
What is the SMILES notation for N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide?
The canonical SMILES for N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide is CN(CC1CCCNC1)C(=O)C#Cc1ccccc1.
What is the InChIKey of N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide?
The InChIKey is NKBSMESIOYGAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(13-15-8-5-11-17-12-15)16(19)10-9-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8,11-13H2,1H3.
What are the key properties of N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide?
N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide has a molecular weight of 256.35 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide is sourced from PubChem (CID 106627592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).