(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone

C16H23N3O — CID 115578734

IUPAC(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
SMILESCN1CCN(C(=O)N2CCCC2)C(c2ccccc2)C1
InChIInChI=1S/C16H23N3O/c1-17-11-12-19(16(20)18-9-5-6-10-18)15(13-17)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3
InChIKeyKRZNMHUUGMWMCU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.19
Rot. Bonds1

About (4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone

(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 115578734) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID115578734
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
SMILESCN1CCN(C(=O)N2CCCC2)C(c2ccccc2)C1
InChIInChI=1S/C16H23N3O/c1-17-11-12-19(16(20)18-9-5-6-10-18)15(13-17)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3
InChIKeyKRZNMHUUGMWMCU-UHFFFAOYSA-N
XLogP2.19
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone
CID 51251992
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62097275
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 99855360
3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
CID 92635252
5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
CID 110246942
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 100836872
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332906
4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332907
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone (CID 115578734) is (4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone is CN1CCN(C(=O)N2CCCC2)C(c2ccccc2)C1.
What is the InChIKey of (4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is KRZNMHUUGMWMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-17-11-12-19(16(20)18-9-5-6-10-18)15(13-17)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3.
What are the key properties of (4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 273.38 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 115578734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).