[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone

C21H31N3O — CID 136542264

IUPAC[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone
SMILESCCC1(C(=O)N2CCN(C3CCN(Cc4ccccc4)C3)CC2)CC1
InChIInChI=1S/C21H31N3O/c1-2-21(9-10-21)20(25)24-14-12-23(13-15-24)19-8-11-22(17-19)16-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3
InChIKeyZIFBCTGFNCXNEP-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.60
Rot. Bonds5

About [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone

[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone (PubChem CID 136542264) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone
PubChem CID136542264
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone
SMILESCCC1(C(=O)N2CCN(C3CCN(Cc4ccccc4)C3)CC2)CC1
InChIInChI=1S/C21H31N3O/c1-2-21(9-10-21)20(25)24-14-12-23(13-15-24)19-8-11-22(17-19)16-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3
InChIKeyZIFBCTGFNCXNEP-UHFFFAOYSA-N
XLogP2.60
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzylpiperidin-3-yl)piperazine-1-carboxylic acid
CID 68706242
1-(1-benzylpyrrolidin-3-yl)-N,4-dimethylpiperidin-4-amine
CID 115303946
4-(1-benzylpyrrolidin-3-yl)-N-(2-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 128830431
4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 69053980
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
tert-butyl 8-benzyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate
CID 118992843
[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 136542265
2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 84755578
(4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 113231360
(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996210
1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine
CID 103575535
4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
CID 17369370

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone?
The IUPAC name of [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone (CID 136542264) is [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone.
What is the SMILES notation for [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone?
The canonical SMILES for [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone is CCC1(C(=O)N2CCN(C3CCN(Cc4ccccc4)C3)CC2)CC1.
What is the InChIKey of [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone?
The InChIKey is ZIFBCTGFNCXNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-2-21(9-10-21)20(25)24-14-12-23(13-15-24)19-8-11-22(17-19)16-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3.
What are the key properties of [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone?
[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone has a molecular weight of 341.50 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(1-ethylcyclopropyl)methanone is sourced from PubChem (CID 136542264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).