[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C21H27N3OS — CID 1131749

IUPAC[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H27N3OS/c25-21(20-7-4-16-26-20)24-14-12-23(13-15-24)19-8-10-22(11-9-19)17-18-5-2-1-3-6-18/h1-7,16,19H,8-15,17H2
InChIKeyJBWZXAJVCWWPBW-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.17
Rot. Bonds4

About [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 1131749) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID1131749
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H27N3OS/c25-21(20-7-4-16-26-20)24-14-12-23(13-15-24)19-8-10-22(11-9-19)17-18-5-2-1-3-6-18/h1-7,16,19H,8-15,17H2
InChIKeyJBWZXAJVCWWPBW-UHFFFAOYSA-N
XLogP3.17
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 1131749) is [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is JBWZXAJVCWWPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c25-21(20-7-4-16-26-20)24-14-12-23(13-15-24)19-8-10-22(11-9-19)17-18-5-2-1-3-6-18/h1-7,16,19H,8-15,17H2.
What are the key properties of [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 369.53 g/mol, XLogP of 3.17, 4 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]-thiophen-2-ylmethanone is sourced from PubChem (CID 1131749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).