[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone

C16H22N4O2 — CID 54070343

IUPAC[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1cccc(C(=O)N2CCNCC2)c1)N1CCNCC1
InChIInChI=1S/C16H22N4O2/c21-15(19-8-4-17-5-9-19)13-2-1-3-14(12-13)16(22)20-10-6-18-7-11-20/h1-3,12,17-18H,4-11H2
InChIKeyMFZKJWIRIQWQFL-UHFFFAOYSA-N
MW302.38 g/mol
LogP-0.22
Rot. Bonds2

About [3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone

[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone (PubChem CID 54070343) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
PubChem CID54070343
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1cccc(C(=O)N2CCNCC2)c1)N1CCNCC1
InChIInChI=1S/C16H22N4O2/c21-15(19-8-4-17-5-9-19)13-2-1-3-14(12-13)16(22)20-10-6-18-7-11-20/h1-3,12,17-18H,4-11H2
InChIKeyMFZKJWIRIQWQFL-UHFFFAOYSA-N
XLogP-0.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone
CID 28748938
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
tert-butyl formate;(3-chlorophenyl)-piperazin-1-ylmethanone
CID 174747134
N-[3-(piperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119402184
1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
CID 39146763
(3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone
CID 164591408
1,4-diazepan-1-yl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119417788
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188

Frequently Asked Questions

What is the IUPAC name of [3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone (CID 54070343) is [3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone is O=C(c1cccc(C(=O)N2CCNCC2)c1)N1CCNCC1.
What is the InChIKey of [3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone?
The InChIKey is MFZKJWIRIQWQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(19-8-4-17-5-9-19)13-2-1-3-14(12-13)16(22)20-10-6-18-7-11-20/h1-3,12,17-18H,4-11H2.
What are the key properties of [3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone?
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone has a molecular weight of 302.38 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 54070343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).