N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide

C19H26N4O — CID 45241321

IUPACN-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]c1)NC1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C19H26N4O/c24-19(9-8-17-13-20-21-14-17)22-18-7-4-11-23(15-18)12-10-16-5-2-1-3-6-16/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,20,21)(H,22,24)
InChIKeyGLUNQEQIESZHRI-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.17
Rot. Bonds7

About N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide

N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 45241321) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID45241321
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]c1)NC1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C19H26N4O/c24-19(9-8-17-13-20-21-14-17)22-18-7-4-11-23(15-18)12-10-16-5-2-1-3-6-16/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,20,21)(H,22,24)
InChIKeyGLUNQEQIESZHRI-UHFFFAOYSA-N
XLogP2.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45178828
3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45244355
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-thiophen-3-ylpropanamide
CID 45181504
N-(1-cyclohexylpyrrolidin-3-yl)-3-(1H-pyrazol-4-yl)propanamide
CID 132984215
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45209652
N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
3-(2-oxoazepan-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45228344

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide (CID 45241321) is N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide is O=C(CCc1cn[nH]c1)NC1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is GLUNQEQIESZHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c24-19(9-8-17-13-20-21-14-17)22-18-7-4-11-23(15-18)12-10-16-5-2-1-3-6-16/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,20,21)(H,22,24).
What are the key properties of N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 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-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 45241321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).