3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide

C18H24N2O — CID 106628072

IUPAC3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide
SMILESCCCN(CC1CCCNC1)C(=O)C#Cc1ccccc1
InChIInChI=1S/C18H24N2O/c1-2-13-20(15-17-9-6-12-19-14-17)18(21)11-10-16-7-4-3-5-8-16/h3-5,7-8,17,19H,2,6,9,12-15H2,1H3
InChIKeyYLUATBJSJCMKIL-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.28
Rot. Bonds4

About 3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide

3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide (PubChem CID 106628072) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide.

Molecular Properties

Compound Name3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide
PubChem CID106628072
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide
SMILESCCCN(CC1CCCNC1)C(=O)C#Cc1ccccc1
InChIInChI=1S/C18H24N2O/c1-2-13-20(15-17-9-6-12-19-14-17)18(21)11-10-16-7-4-3-5-8-16/h3-5,7-8,17,19H,2,6,9,12-15H2,1H3
InChIKeyYLUATBJSJCMKIL-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide
CID 106627592
2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628436
2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
6-methyl-N-(piperidin-3-ylmethyl)-N-propylpyridine-2-carboxamide
CID 106628314
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
CID 106630010
N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 106628102
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
CID 106640732
benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
CID 67098710
1-methyl-N-(piperidin-3-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 106628384
4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107990973

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide?
The IUPAC name of 3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide (CID 106628072) is 3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide.
What is the SMILES notation for 3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide?
The canonical SMILES for 3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide is CCCN(CC1CCCNC1)C(=O)C#Cc1ccccc1.
What is the InChIKey of 3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide?
The InChIKey is YLUATBJSJCMKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-13-20(15-17-9-6-12-19-14-17)18(21)11-10-16-7-4-3-5-8-16/h3-5,7-8,17,19H,2,6,9,12-15H2,1H3.
What are the key properties of 3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide?
3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide has a molecular weight of 284.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide is sourced from PubChem (CID 106628072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).