N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide

C27H30N2O — CID 21424837

IUPACN-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N2O/c1-21(30)28-26-14-12-22(13-15-26)20-29-18-16-25(17-19-29)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25,27H,16-20H2,1H3,(H,28,30)
InChIKeyULTQHSWCSYYROY-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.69
Rot. Bonds6

About N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide

N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide (PubChem CID 21424837) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
PubChem CID21424837
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC NameN-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N2O/c1-21(30)28-26-14-12-22(13-15-26)20-29-18-16-25(17-19-29)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25,27H,16-20H2,1H3,(H,28,30)
InChIKeyULTQHSWCSYYROY-UHFFFAOYSA-N
XLogP5.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
[4-[(1-benzylpiperidin-4-yl)-(3-fluorophenyl)methyl]phenyl]carbamic acid
CID 23435913
N-[4-[2-(1-benzylpiperidin-4-yl)acetyl]phenyl]acetamide
CID 19968938
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839
N-[4-[[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 45183025
N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide
CID 75515001
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoic acid
CID 103498140
N-[4-[[4-[(2S)-oxetan-2-yl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135329983
N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 23826694

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide (CID 21424837) is N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is ULTQHSWCSYYROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c1-21(30)28-26-14-12-22(13-15-26)20-29-18-16-25(17-19-29)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25,27H,16-20H2,1H3,(H,28,30).
What are the key properties of N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide?
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 398.55 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 21424837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).