1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

C21H31N3O3 — CID 120734234

IUPAC1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C(=O)N2CCNCC2c2ccccc2OC)CC1
InChIInChI=1S/C21H31N3O3/c1-3-6-20(25)23-12-9-16(10-13-23)21(26)24-14-11-22-15-18(24)17-7-4-5-8-19(17)27-2/h4-5,7-8,16,18,22H,3,6,9-15H2,1-2H3
InChIKeyDZDSPXZSMJJPKN-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.21
Rot. Bonds5

About 1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one (PubChem CID 120734234) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
PubChem CID120734234
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C(=O)N2CCNCC2c2ccccc2OC)CC1
InChIInChI=1S/C21H31N3O3/c1-3-6-20(25)23-12-9-16(10-13-23)21(26)24-14-11-22-15-18(24)17-7-4-5-8-19(17)27-2/h4-5,7-8,16,18,22H,3,6,9-15H2,1-2H3
InChIKeyDZDSPXZSMJJPKN-UHFFFAOYSA-N
XLogP2.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
[1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734626
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120753922
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride
CID 120733856
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride
CID 120734241
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one
CID 120734905
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120733049
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one (CID 120734234) is 1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(C(=O)N2CCNCC2c2ccccc2OC)CC1.
What is the InChIKey of 1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The InChIKey is DZDSPXZSMJJPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-3-6-20(25)23-12-9-16(10-13-23)21(26)24-14-11-22-15-18(24)17-7-4-5-8-19(17)27-2/h4-5,7-8,16,18,22H,3,6,9-15H2,1-2H3.
What are the key properties of 1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one has a molecular weight of 373.50 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 120734234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).