N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide

C21H29N3O — CID 166057250

IUPACN-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCC2C=CN=CC2)CC1
InChIInChI=1S/C21H29N3O/c1-2-21(25)24(19-6-4-3-5-7-19)20-11-16-23(17-12-20)15-10-18-8-13-22-14-9-18/h3-8,13-14,18,20H,2,9-12,15-17H2,1H3
InChIKeyCRQACPPWAJQQDD-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.89
Rot. Bonds6

About N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide

N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 166057250) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID166057250
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCC2C=CN=CC2)CC1
InChIInChI=1S/C21H29N3O/c1-2-21(25)24(19-6-4-3-5-7-19)20-11-16-23(17-12-20)15-10-18-8-13-22-14-9-18/h3-8,13-14,18,20H,2,9-12,15-17H2,1H3
InChIKeyCRQACPPWAJQQDD-UHFFFAOYSA-N
XLogP3.89
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
N-[1-[2-(2,6-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 165361588
N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 25110126
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 90349890
3,3,3-trideuterio-N-[1-(2,2-dideuterio-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 44621110
5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid
CID 156738344

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (CID 166057250) is N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(CCC2C=CN=CC2)CC1.
What is the InChIKey of N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is CRQACPPWAJQQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-2-21(25)24(19-6-4-3-5-7-19)20-11-16-23(17-12-20)15-10-18-8-13-22-14-9-18/h3-8,13-14,18,20H,2,9-12,15-17H2,1H3.
What are the key properties of N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 339.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 166057250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).