N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide

C21H26N2O — CID 175142313

IUPACN-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-2-21(24)22-19-10-6-7-11-20(19)23-14-12-18(13-15-23)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,22,24)
InChIKeySTVTZCOKJDEIEA-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.49
Rot. Bonds5

About N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide

N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide (PubChem CID 175142313) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide
PubChem CID175142313
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-2-21(24)22-19-10-6-7-11-20(19)23-14-12-18(13-15-23)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,22,24)
InChIKeySTVTZCOKJDEIEA-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-benzylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 1063832
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide
CID 68551320
2-(4-benzylpiperidin-1-yl)benzaldehyde
CID 43167857
N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
CID 112985401
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-3-propan-2-ylurea
CID 100665127
4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide
CID 11280085
3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
CID 108952152
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108952167
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
4-benzyl-1-(2-nitrophenyl)piperidine
CID 7923050
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide (CID 175142313) is N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide is CCC(=O)Nc1ccccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide?
The InChIKey is STVTZCOKJDEIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-21(24)22-19-10-6-7-11-20(19)23-14-12-18(13-15-23)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide?
N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide has a molecular weight of 322.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 175142313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).