N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide

C18H27BrN4O — CID 120853962

IUPACN-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC2CCNCC2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H27BrN4O/c19-16-1-3-17(4-2-16)21-18(24)14-23-11-9-22(10-12-23)13-15-5-7-20-8-6-15/h1-4,15,20H,5-14H2,(H,21,24)
InChIKeyRVSCIXOCZCEKGW-UHFFFAOYSA-N
MW395.35 g/mol
LogP2.00
Rot. Bonds5

About N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide

N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 120853962) has the molecular formula C18H27BrN4O and a molecular weight of 395.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide
PubChem CID120853962
Molecular FormulaC18H27BrN4O
Molecular Weight395.35 g/mol
Exact Mass394.14
IUPAC NameN-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC2CCNCC2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H27BrN4O/c19-16-1-3-17(4-2-16)21-18(24)14-23-11-9-22(10-12-23)13-15-5-7-20-8-6-15/h1-4,15,20H,5-14H2,(H,21,24)
InChIKeyRVSCIXOCZCEKGW-UHFFFAOYSA-N
XLogP2.00
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611369
(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931058
N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248697
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
2-[4-[2-(4-bromoanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 60512931
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
CID 119848878
N-[4-(4-bromophenyl)sulfanylphenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 17426326
N-(4-bromophenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 97078137
N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55169623

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide (CID 120853962) is N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(CC2CCNCC2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is RVSCIXOCZCEKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN4O/c19-16-1-3-17(4-2-16)21-18(24)14-23-11-9-22(10-12-23)13-15-5-7-20-8-6-15/h1-4,15,20H,5-14H2,(H,21,24).
What are the key properties of N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 395.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120853962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).