2-(2-benzhydrylpiperidin-1-yl)butanamide

C22H28N2O — CID 3030424

IUPAC2-(2-benzhydrylpiperidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CCCCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-2-19(22(23)25)24-16-10-9-15-20(24)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19-21H,2,9-10,15-16H2,1H3,(H2,23,25)
InChIKeyNPGZMRBQPSISSJ-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.94
Rot. Bonds6

About 2-(2-benzhydrylpiperidin-1-yl)butanamide

2-(2-benzhydrylpiperidin-1-yl)butanamide (PubChem CID 3030424) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(2-benzhydrylpiperidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(2-benzhydrylpiperidin-1-yl)butanamide
PubChem CID3030424
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-(2-benzhydrylpiperidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CCCCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-2-19(22(23)25)24-16-10-9-15-20(24)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19-21H,2,9-10,15-16H2,1H3,(H2,23,25)
InChIKeyNPGZMRBQPSISSJ-UHFFFAOYSA-N
XLogP3.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
CID 111490203
2-[2-[1-(propylamino)ethyl]piperidin-1-yl]butanamide
CID 63854877
2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
CID 62900440
1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide
CID 62037047
2-(2-ethylazepan-1-yl)butanamide
CID 104691437
3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
CID 62901019
methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate
CID 50901624
ethyl 2-(2-ethylazepan-1-yl)-2-phenylacetate
CID 106677138
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
2-(1-nitrosopiperidin-2-yl)-2-phenylacetamide
CID 170903784
(2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide
CID 100843979
(2R)-2-[(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butanoic acid
CID 129498272

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzhydrylpiperidin-1-yl)butanamide?
The IUPAC name of 2-(2-benzhydrylpiperidin-1-yl)butanamide (CID 3030424) is 2-(2-benzhydrylpiperidin-1-yl)butanamide.
What is the SMILES notation for 2-(2-benzhydrylpiperidin-1-yl)butanamide?
The canonical SMILES for 2-(2-benzhydrylpiperidin-1-yl)butanamide is CCC(C(N)=O)N1CCCCC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-benzhydrylpiperidin-1-yl)butanamide?
The InChIKey is NPGZMRBQPSISSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-2-19(22(23)25)24-16-10-9-15-20(24)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19-21H,2,9-10,15-16H2,1H3,(H2,23,25).
What are the key properties of 2-(2-benzhydrylpiperidin-1-yl)butanamide?
2-(2-benzhydrylpiperidin-1-yl)butanamide has a molecular weight of 336.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzhydrylpiperidin-1-yl)butanamide is sourced from PubChem (CID 3030424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).