[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone

C24H31N3O2 — CID 1360916

IUPAC[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C24H31N3O2/c1-29-23-9-5-8-21(18-23)24(28)27-16-14-26(15-17-27)22-10-12-25(13-11-22)19-20-6-3-2-4-7-20/h2-9,18,22H,10-17,19H2,1H3
InChIKeyKGXHTSQDAQKAOX-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.12
Rot. Bonds5

About [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 1360916) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID1360916
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C24H31N3O2/c1-29-23-9-5-8-21(18-23)24(28)27-16-14-26(15-17-27)22-10-12-25(13-11-22)19-20-6-3-2-4-7-20/h2-9,18,22H,10-17,19H2,1H3
InChIKeyKGXHTSQDAQKAOX-UHFFFAOYSA-N
XLogP3.12
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
[3-(difluoromethoxy)phenyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19297405
1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]propan-1-one
CID 25278100
1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579499
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 11175983

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 1360916) is [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1.
What is the InChIKey of [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is KGXHTSQDAQKAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-29-23-9-5-8-21(18-23)24(28)27-16-14-26(15-17-27)22-10-12-25(13-11-22)19-20-6-3-2-4-7-20/h2-9,18,22H,10-17,19H2,1H3.
What are the key properties of [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 393.53 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 1360916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).