(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone

C16H23N3O — CID 28748938

IUPAC(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cccc(N2CCNCC2)c1)N1CCCCC1
InChIInChI=1S/C16H23N3O/c20-16(19-9-2-1-3-10-19)14-5-4-6-15(13-14)18-11-7-17-8-12-18/h4-6,13,17H,1-3,7-12H2
InChIKeyBLVKDHRPABYGGN-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.72
Rot. Bonds2

About (3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone

(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone (PubChem CID 28748938) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone
PubChem CID28748938
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cccc(N2CCNCC2)c1)N1CCCCC1
InChIInChI=1S/C16H23N3O/c20-16(19-9-2-1-3-10-19)14-5-4-6-15(13-14)18-11-7-17-8-12-18/h4-6,13,17H,1-3,7-12H2
InChIKeyBLVKDHRPABYGGN-UHFFFAOYSA-N
XLogP1.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[4-(3-piperazin-1-ylphenyl)phenyl]methanone;hydrochloride
CID 154909425
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
N-cyclohexyl-3-piperazin-1-ylbenzamide
CID 28748940
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
N,N-dimethyl-3-piperazin-1-ylbenzamide;dihydrochloride
CID 138393542
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
1,4-diazepan-1-yl-[3-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
CID 119418188
azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone
CID 69365668

Frequently Asked Questions

What is the IUPAC name of (3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone (CID 28748938) is (3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone is O=C(c1cccc(N2CCNCC2)c1)N1CCCCC1.
What is the InChIKey of (3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone?
The InChIKey is BLVKDHRPABYGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(19-9-2-1-3-10-19)14-5-4-6-15(13-14)18-11-7-17-8-12-18/h4-6,13,17H,1-3,7-12H2.
What are the key properties of (3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone?
(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone has a molecular weight of 273.38 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 28748938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).