(4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone

C16H23N3O — CID 42825204

IUPAC(4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone
SMILESCN1CCN(C(=O)C2CNCC2c2ccccc2)CC1
InChIInChI=1S/C16H23N3O/c1-18-7-9-19(10-8-18)16(20)15-12-17-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,17H,7-12H2,1H3
InChIKeyYTWXFAZJEQMRBK-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.76
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone

(4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone (PubChem CID 42825204) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone
PubChem CID42825204
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone
SMILESCN1CCN(C(=O)C2CNCC2c2ccccc2)CC1
InChIInChI=1S/C16H23N3O/c1-18-7-9-19(10-8-18)16(20)15-12-17-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,17H,7-12H2,1H3
InChIKeyYTWXFAZJEQMRBK-UHFFFAOYSA-N
XLogP0.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone
CID 170182493
[4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone
CID 42680025
(1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 166828290
[4-(4-methylphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 42656377
1,3-dihydroisoindol-2-yl-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120931629
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120916885
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 120942411
N-ethyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazine-1-carboxamide
CID 120920170
(2-methyl-3-phenylpyrrolidin-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120935558
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
(4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 56816540
[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42825231

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone (CID 42825204) is (4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone is CN1CCN(C(=O)C2CNCC2c2ccccc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone?
The InChIKey is YTWXFAZJEQMRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-7-9-19(10-8-18)16(20)15-12-17-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,17H,7-12H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone?
(4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 42825204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).