2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide

C20H21BrN2O2 — CID 108550222

IUPAC2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)Cc2ccccc2)CC1)c1ccccc1Br
InChIInChI=1S/C20H21BrN2O2/c21-18-9-5-4-8-17(18)20(25)22-16-10-12-23(13-11-16)19(24)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,25)
InChIKeyAVDJBVSUDSNMHO-UHFFFAOYSA-N
MW401.30 g/mol
LogP3.41
Rot. Bonds4

About 2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide

2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide (PubChem CID 108550222) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
PubChem CID108550222
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC Name2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)Cc2ccccc2)CC1)c1ccccc1Br
InChIInChI=1S/C20H21BrN2O2/c21-18-9-5-4-8-17(18)20(25)22-16-10-12-23(13-11-16)19(24)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,25)
InChIKeyAVDJBVSUDSNMHO-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
CID 108551717
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083190
4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide
CID 108559685
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108561610
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108561362
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 91641898
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
CID 154997701
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide (CID 108550222) is 2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)Cc2ccccc2)CC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide?
The InChIKey is AVDJBVSUDSNMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c21-18-9-5-4-8-17(18)20(25)22-16-10-12-23(13-11-16)19(24)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,25).
What are the key properties of 2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide?
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide has a molecular weight of 401.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108550222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).