piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone

C16H23N3O — CID 39284007

IUPACpiperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCC2)cc1)N1CCNCC1
InChIInChI=1S/C16H23N3O/c20-16(19-11-7-17-8-12-19)15-5-3-14(4-6-15)13-18-9-1-2-10-18/h3-6,17H,1-2,7-13H2
InChIKeyCSFMFBFXUUXKHO-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.33
Rot. Bonds3

About piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone

piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 39284007) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID39284007
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Namepiperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCC2)cc1)N1CCNCC1
InChIInChI=1S/C16H23N3O/c20-16(19-11-7-17-8-12-19)15-5-3-14(4-6-15)13-18-9-1-2-10-18/h3-6,17H,1-2,7-13H2
InChIKeyCSFMFBFXUUXKHO-UHFFFAOYSA-N
XLogP1.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1,9-dithia-5,13-diazacyclohexadec-5-ylmethyl)phenyl]-(1,4,8,11-tetrazacyclotetradec-1-yl)methanone
CID 10603303
[4-(1,7-dithia-4,11-diazacyclotetradec-11-ylmethyl)phenyl]-(1,4,8,11-tetrazacyclotetradec-1-yl)methanone
CID 10697922
1,4-diazepan-1-yl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119417788
1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
CID 39146759
1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
CID 119401688
(3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 74236555
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
2-[4-(piperazine-1-carbonyl)phenyl]acetonitrile
CID 82179229
4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide
CID 134043084
(4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 74234746
[4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone
CID 118063528
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 39284007) is piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCCC2)cc1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is CSFMFBFXUUXKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(19-11-7-17-8-12-19)15-5-3-14(4-6-15)13-18-9-1-2-10-18/h3-6,17H,1-2,7-13H2.
What are the key properties of piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone has a molecular weight of 273.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 39284007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).