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

C19H23BrN4O — CID 55470161

IUPACN-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H23BrN4O/c1-15(19(25)22-17-7-4-5-16(20)13-17)24-11-9-23(10-12-24)14-18-6-2-3-8-21-18/h2-8,13,15H,9-12,14H2,1H3,(H,22,25)
InChIKeyQEEGMRWIKJZICI-UHFFFAOYSA-N
MW403.32 g/mol
LogP2.99
Rot. Bonds5

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

N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 55470161) has the molecular formula C19H23BrN4O and a molecular weight of 403.32 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
PubChem CID55470161
Molecular FormulaC19H23BrN4O
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC NameN-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H23BrN4O/c1-15(19(25)22-17-7-4-5-16(20)13-17)24-11-9-23(10-12-24)14-18-6-2-3-8-21-18/h2-8,13,15H,9-12,14H2,1H3,(H,22,25)
InChIKeyQEEGMRWIKJZICI-UHFFFAOYSA-N
XLogP2.99
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184534
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797210
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-methylphenyl)propanamide
CID 55506004
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide
CID 55841391
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51301703
(2S)-N-(3-bromophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430772
(2S)-N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430774
(2R)-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid
CID 51720176
N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide
CID 51087134
(2R)-N-(3-bromophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 25477477

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide (CID 55470161) is N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1cccc(Br)c1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is QEEGMRWIKJZICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O/c1-15(19(25)22-17-7-4-5-16(20)13-17)24-11-9-23(10-12-24)14-18-6-2-3-8-21-18/h2-8,13,15H,9-12,14H2,1H3,(H,22,25).
What are the key properties of N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide?
N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 403.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55470161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).