(4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone

C22H27N3O2 — CID 24947937

IUPAC(4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone
SMILESCNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccccc1
InChIInChI=1S/C22H27N3O2/c1-23-16-18-15-17(7-10-21(18)27-20-5-3-2-4-6-20)22(26)25-13-11-24(12-14-25)19-8-9-19/h2-7,10,15,19,23H,8-9,11-14,16H2,1H3
InChIKeySYZMKZBTICLWQD-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.12
Rot. Bonds6

About (4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone

(4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone (PubChem CID 24947937) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone
PubChem CID24947937
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone
SMILESCNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccccc1
InChIInChI=1S/C22H27N3O2/c1-23-16-18-15-17(7-10-21(18)27-20-5-3-2-4-6-20)22(26)25-13-11-24(12-14-25)19-8-9-19/h2-7,10,15,19,23H,8-9,11-14,16H2,1H3
InChIKeySYZMKZBTICLWQD-UHFFFAOYSA-N
XLogP3.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone (CID 24947937) is (4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone is CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1Oc1ccccc1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone?
The InChIKey is SYZMKZBTICLWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-23-16-18-15-17(7-10-21(18)27-20-5-3-2-4-6-20)22(26)25-13-11-24(12-14-25)19-8-9-19/h2-7,10,15,19,23H,8-9,11-14,16H2,1H3.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone?
(4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone has a molecular weight of 365.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone is sourced from PubChem (CID 24947937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).