N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide

C22H26BrN3O2 — CID 42696609

IUPACN-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide
SMILESCC(NC(=O)c1cccc(Br)c1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26BrN3O2/c1-16(24-22(28)18-8-5-9-19(23)14-18)21(27)25-20-10-12-26(13-11-20)15-17-6-3-2-4-7-17/h2-9,14,16,20H,10-13,15H2,1H3,(H,24,28)(H,25,27)
InChIKeySJPNIZOTYVEJDO-UHFFFAOYSA-N
MW444.37 g/mol
LogP3.35
Rot. Bonds6

About N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide

N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide (PubChem CID 42696609) has the molecular formula C22H26BrN3O2 and a molecular weight of 444.37 g/mol. Its IUPAC name is N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide
PubChem CID42696609
Molecular FormulaC22H26BrN3O2
Molecular Weight444.37 g/mol
Exact Mass443.12
IUPAC NameN-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide
SMILESCC(NC(=O)c1cccc(Br)c1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26BrN3O2/c1-16(24-22(28)18-8-5-9-19(23)14-18)21(27)25-20-10-12-26(13-11-20)15-17-6-3-2-4-7-17/h2-9,14,16,20H,10-13,15H2,1H3,(H,24,28)(H,25,27)
InChIKeySJPNIZOTYVEJDO-UHFFFAOYSA-N
XLogP3.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 136554367
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51301703
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide?
The IUPAC name of N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide (CID 42696609) is N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide.
What is the SMILES notation for N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide?
The canonical SMILES for N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide is CC(NC(=O)c1cccc(Br)c1)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide?
The InChIKey is SJPNIZOTYVEJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O2/c1-16(24-22(28)18-8-5-9-19(23)14-18)21(27)25-20-10-12-26(13-11-20)15-17-6-3-2-4-7-17/h2-9,14,16,20H,10-13,15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide?
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide has a molecular weight of 444.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide is sourced from PubChem (CID 42696609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).