N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide

C24H30Br2N4O2 — CID 142744619

IUPACN-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Br)c3)CC2)c(Br)c1
InChIInChI=1S/C24H30Br2N4O2/c1-17-2-4-22(20(25)14-17)28-24(31)30-12-10-29(11-13-30)16-18-3-5-23(21(26)15-18)32-19-6-8-27-9-7-19/h2-5,14-15,19,27H,6-13,16H2,1H3,(H,28,31)
InChIKeyDOJPVURQNJYUPS-UHFFFAOYSA-N
MW566.34 g/mol
LogP5.00
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide

N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 142744619) has the molecular formula C24H30Br2N4O2 and a molecular weight of 566.34 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID142744619
Molecular FormulaC24H30Br2N4O2
Molecular Weight566.34 g/mol
Exact Mass564.07
IUPAC NameN-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Br)c3)CC2)c(Br)c1
InChIInChI=1S/C24H30Br2N4O2/c1-17-2-4-22(20(25)14-17)28-24(31)30-12-10-29(11-13-30)16-18-3-5-23(21(26)15-18)32-19-6-8-27-9-7-19/h2-5,14-15,19,27H,6-13,16H2,1H3,(H,28,31)
InChIKeyDOJPVURQNJYUPS-UHFFFAOYSA-N
XLogP5.00
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.34
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]-N-(3-iodophenyl)piperazine-1-carboxamide
CID 142744653
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide
CID 142744624
2-[4-[(2-bromo-4-methylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61182202
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-5-ethyl-1-benzothiophene-2-carboxamide
CID 134156326
2-(1-benzothiophen-2-yl)-N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]acetamide
CID 142727883
N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-6-cyano-4-oxochromene-2-carboxamide
CID 148526924
N-(2-bromo-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103375
[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone
CID 142747239
N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266537
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)furan-2-yl]acetamide
CID 142747250

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide (CID 142744619) is N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Br)c3)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is DOJPVURQNJYUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Br2N4O2/c1-17-2-4-22(20(25)14-17)28-24(31)30-12-10-29(11-13-30)16-18-3-5-23(21(26)15-18)32-19-6-8-27-9-7-19/h2-5,14-15,19,27H,6-13,16H2,1H3,(H,28,31).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide?
N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 566.34 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 142744619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).