(1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone

C18H27N3O2 — CID 166256709

IUPAC(1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone
SMILESCON1CCN(C(=O)C2CN(Cc3ccccc3)CC2C)CC1
InChIInChI=1S/C18H27N3O2/c1-15-12-19(13-16-6-4-3-5-7-16)14-17(15)18(22)20-8-10-21(23-2)11-9-20/h3-7,15,17H,8-14H2,1-2H3
InChIKeyOCJLKBCDEAHMSS-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.46
Rot. Bonds4

About (1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone

(1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone (PubChem CID 166256709) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone
PubChem CID166256709
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone
SMILESCON1CCN(C(=O)C2CN(Cc3ccccc3)CC2C)CC1
InChIInChI=1S/C18H27N3O2/c1-15-12-19(13-16-6-4-3-5-7-16)14-17(15)18(22)20-8-10-21(23-2)11-9-20/h3-7,15,17H,8-14H2,1-2H3
InChIKeyOCJLKBCDEAHMSS-UHFFFAOYSA-N
XLogP1.46
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
benzyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 86678243
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide
CID 18723473
1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 23062043
(1S,6S)-6-(4-benzylpiperazine-1-carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1149453
(3R,4S)-1-benzyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrrolidine-3-carboxylic acid
CID 6559132
(3S,4S)-N'-amino-1-benzyl-4-methylpyrrolidine-3-carboximidamide
CID 66828753
N'-amino-1-benzyl-4-methylpyrrolidine-3-carboximidamide
CID 87170150
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone?
The IUPAC name of (1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone (CID 166256709) is (1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone?
The canonical SMILES for (1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone is CON1CCN(C(=O)C2CN(Cc3ccccc3)CC2C)CC1.
What is the InChIKey of (1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone?
The InChIKey is OCJLKBCDEAHMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15-12-19(13-16-6-4-3-5-7-16)14-17(15)18(22)20-8-10-21(23-2)11-9-20/h3-7,15,17H,8-14H2,1-2H3.
What are the key properties of (1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone?
(1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone has a molecular weight of 317.43 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone is sourced from PubChem (CID 166256709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).