[(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone

C24H31N3O2 — CID 170503220

IUPAC[(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1cccc(-c2ccc(OCCN3CCCC3)cc2)c1
InChIInChI=1S/C24H31N3O2/c1-19-18-25-11-14-27(19)24(28)22-6-4-5-21(17-22)20-7-9-23(10-8-20)29-16-15-26-12-2-3-13-26/h4-10,17,19,25H,2-3,11-16,18H2,1H3/t19-/m1/s1
InChIKeyJVILDDQVILSGJB-LJQANCHMSA-N
MW393.53 g/mol
LogP3.26
Rot. Bonds6

About [(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone

[(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone (PubChem CID 170503220) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is [(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone
PubChem CID170503220
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name[(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1cccc(-c2ccc(OCCN3CCCC3)cc2)c1
InChIInChI=1S/C24H31N3O2/c1-19-18-25-11-14-27(19)24(28)22-6-4-5-21(17-22)20-7-9-23(10-8-20)29-16-15-26-12-2-3-13-26/h4-10,17,19,25H,2-3,11-16,18H2,1H3/t19-/m1/s1
InChIKeyJVILDDQVILSGJB-LJQANCHMSA-N
XLogP3.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride
CID 119471460
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119472958
methyl 5-methoxy-2-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzoate;hydrochloride
CID 154903926
[(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124571660
sodium 3-[(2R)-2-methylpiperazine-1-carbonyl]benzoate
CID 126837861
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
[4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119473075
N-methyl-2-[4-[3-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]phenoxy]acetamide
CID 126430068
[4-(cyclopropylmethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471413

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone?
The IUPAC name of [(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone (CID 170503220) is [(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone.
What is the SMILES notation for [(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone?
The canonical SMILES for [(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone is C[C@@H]1CNCCN1C(=O)c1cccc(-c2ccc(OCCN3CCCC3)cc2)c1.
What is the InChIKey of [(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone?
The InChIKey is JVILDDQVILSGJB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19-18-25-11-14-27(19)24(28)22-6-4-5-21(17-22)20-7-9-23(10-8-20)29-16-15-26-12-2-3-13-26/h4-10,17,19,25H,2-3,11-16,18H2,1H3/t19-/m1/s1.
What are the key properties of [(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone?
[(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone has a molecular weight of 393.53 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone is sourced from PubChem (CID 170503220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).