N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide

C19H29BrN4O — CID 86959364

IUPACN-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1Br)N1CCN(C2CCCN(C)C2)CC1
InChIInChI=1S/C19H29BrN4O/c1-15(19(25)21-18-8-4-3-7-17(18)20)23-10-12-24(13-11-23)16-6-5-9-22(2)14-16/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,21,25)
InChIKeyZCAIARNNENFIRF-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.49
Rot. Bonds4

About N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide

N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide (PubChem CID 86959364) has the molecular formula C19H29BrN4O and a molecular weight of 409.37 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide
PubChem CID86959364
Molecular FormulaC19H29BrN4O
Molecular Weight409.37 g/mol
Exact Mass408.15
IUPAC NameN-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1Br)N1CCN(C2CCCN(C)C2)CC1
InChIInChI=1S/C19H29BrN4O/c1-15(19(25)21-18-8-4-3-7-17(18)20)23-10-12-24(13-11-23)16-6-5-9-22(2)14-16/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,21,25)
InChIKeyZCAIARNNENFIRF-UHFFFAOYSA-N
XLogP2.49
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-bromophenyl)propanamide;hydrochloride
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N-(2-cyanophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide
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N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide
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CID 67992748
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
(9aS)-N-(2-propan-2-ylphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide (CID 86959364) is N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide is CC(C(=O)Nc1ccccc1Br)N1CCN(C2CCCN(C)C2)CC1.
What is the InChIKey of N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide?
The InChIKey is ZCAIARNNENFIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN4O/c1-15(19(25)21-18-8-4-3-7-17(18)20)23-10-12-24(13-11-23)16-6-5-9-22(2)14-16/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,21,25).
What are the key properties of N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide?
N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide has a molecular weight of 409.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 86959364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).