N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide

C21H27N3O — CID 45227413

IUPACN-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)NC1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C21H27N3O/c25-21(12-11-19-9-4-5-14-22-19)23-20-10-6-15-24(17-20)16-13-18-7-2-1-3-8-18/h1-5,7-9,14,20H,6,10-13,15-17H2,(H,23,25)
InChIKeyXBFWRTNPEDWDPU-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.84
Rot. Bonds7

About N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide

N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide (PubChem CID 45227413) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
PubChem CID45227413
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)NC1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C21H27N3O/c25-21(12-11-19-9-4-5-14-22-19)23-20-10-6-15-24(17-20)16-13-18-7-2-1-3-8-18/h1-5,7-9,14,20H,6,10-13,15-17H2,(H,23,25)
InChIKeyXBFWRTNPEDWDPU-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45241321
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45244355
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 45198986
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 26392211
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide (CID 45227413) is N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide is O=C(CCc1ccccn1)NC1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide?
The InChIKey is XBFWRTNPEDWDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(12-11-19-9-4-5-14-22-19)23-20-10-6-15-24(17-20)16-13-18-7-2-1-3-8-18/h1-5,7-9,14,20H,6,10-13,15-17H2,(H,23,25).
What are the key properties of N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide?
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide has a molecular weight of 337.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 45227413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).