(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone

C30H40N4O2 — CID 42881412

IUPAC(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone
SMILESCCN1CCN(C(=O)C2CCN(C3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)CC2)CC1
InChIInChI=1S/C30H40N4O2/c1-2-31-20-22-34(23-21-31)30(36)27-12-16-32(17-13-27)28-14-18-33(19-15-28)29(35)26-10-8-25(9-11-26)24-6-4-3-5-7-24/h3-11,27-28H,2,12-23H2,1H3
InChIKeyVUDUVDLCOVUDHH-UHFFFAOYSA-N
MW488.68 g/mol
LogP3.83
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone (PubChem CID 42881412) has the molecular formula C30H40N4O2 and a molecular weight of 488.68 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone
PubChem CID42881412
Molecular FormulaC30H40N4O2
Molecular Weight488.68 g/mol
Exact Mass488.32
IUPAC Name(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone
SMILESCCN1CCN(C(=O)C2CCN(C3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)CC2)CC1
InChIInChI=1S/C30H40N4O2/c1-2-31-20-22-34(23-21-31)30(36)27-12-16-32(17-13-27)28-14-18-33(19-15-28)29(35)26-10-8-25(9-11-26)24-6-4-3-5-7-24/h3-11,27-28H,2,12-23H2,1H3
InChIKeyVUDUVDLCOVUDHH-UHFFFAOYSA-N
XLogP3.83
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.68
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881411
[1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881418
[1-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881394
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17223445
(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone
CID 126069161
1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 42881406
[1-[1-(4-hexylbenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42881294
[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42881342
oxalic acid;(4-phenylphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 17369365
1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 42881405
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 90483458
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone (CID 42881412) is (4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone is CCN1CCN(C(=O)C2CCN(C3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone?
The InChIKey is VUDUVDLCOVUDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O2/c1-2-31-20-22-34(23-21-31)30(36)27-12-16-32(17-13-27)28-14-18-33(19-15-28)29(35)26-10-8-25(9-11-26)24-6-4-3-5-7-24/h3-11,27-28H,2,12-23H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone has a molecular weight of 488.68 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 42881412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).