N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide

C17H26N2O2 — CID 81047426

IUPACN-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC(CO)c1ccccc1)C1CCCNC1
InChIInChI=1S/C17H26N2O2/c1-13(15-8-5-9-18-11-15)10-17(21)19-16(12-20)14-6-3-2-4-7-14/h2-4,6-7,13,15-16,18,20H,5,8-12H2,1H3,(H,19,21)
InChIKeyIBJIODAZBCOHGB-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.86
Rot. Bonds6

About N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide

N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide (PubChem CID 81047426) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
PubChem CID81047426
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC(CO)c1ccccc1)C1CCCNC1
InChIInChI=1S/C17H26N2O2/c1-13(15-8-5-9-18-11-15)10-17(21)19-16(12-20)14-6-3-2-4-7-14/h2-4,6-7,13,15-16,18,20H,5,8-12H2,1H3,(H,19,21)
InChIKeyIBJIODAZBCOHGB-UHFFFAOYSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 119805764
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 119851531
methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride
CID 119818551
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
CID 119816785
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119859518
3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
CID 119801841

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide (CID 81047426) is N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)NC(CO)c1ccccc1)C1CCCNC1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide?
The InChIKey is IBJIODAZBCOHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(15-8-5-9-18-11-15)10-17(21)19-16(12-20)14-6-3-2-4-7-14/h2-4,6-7,13,15-16,18,20H,5,8-12H2,1H3,(H,19,21).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide?
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81047426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).