(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

C18H25N3O3 — CID 18152974

IUPAC(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-24-16-7-5-15(6-8-16)17(22)19-11-13-21(14-12-19)18(23)20-9-3-2-4-10-20/h5-8H,2-4,9-14H2,1H3
InChIKeyPLOCWRYTTADNLR-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.06
Rot. Bonds2

About (4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (PubChem CID 18152974) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
PubChem CID18152974
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-24-16-7-5-15(6-8-16)17(22)19-11-13-21(14-12-19)18(23)20-9-3-2-4-10-20/h5-8H,2-4,9-14H2,1H3
InChIKeyPLOCWRYTTADNLR-UHFFFAOYSA-N
XLogP2.06
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24610437
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(4-methoxyphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808183
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 31868528

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (CID 18152974) is (4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The InChIKey is PLOCWRYTTADNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-16-7-5-15(6-8-16)17(22)19-11-13-21(14-12-19)18(23)20-9-3-2-4-10-20/h5-8H,2-4,9-14H2,1H3.
What are the key properties of (4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18152974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).