(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

C19H28ClN3O — CID 120996210

IUPAC(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCC(N2CCNCC2)C1)C1(Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O.ClH/c23-18(19(7-8-19)14-16-4-2-1-3-5-16)22-11-6-17(15-22)21-12-9-20-10-13-21;/h1-5,17,20H,6-15H2;1H
InChIKeyIDULBESSQQFFOV-UHFFFAOYSA-N
MW349.91 g/mol
LogP1.94
Rot. Bonds4

About (1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120996210) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is (1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120996210
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCC(N2CCNCC2)C1)C1(Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O.ClH/c23-18(19(7-8-19)14-16-4-2-1-3-5-16)22-11-6-17(15-22)21-12-9-20-10-13-21;/h1-5,17,20H,6-15H2;1H
InChIKeyIDULBESSQQFFOV-UHFFFAOYSA-N
XLogP1.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996455
(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone
CID 119579725
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
CID 119486293
[1-(2,6-dichlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995743
2-benzylsulfanyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120997771
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
CID 119486862
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311
3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 120997056
(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 22741766
(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563003
[1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997387
(1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 136583063

Frequently Asked Questions

What is the IUPAC name of (1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 120996210) is (1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is Cl.O=C(N1CCC(N2CCNCC2)C1)C1(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is IDULBESSQQFFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O.ClH/c23-18(19(7-8-19)14-16-4-2-1-3-5-16)22-11-6-17(15-22)21-12-9-20-10-13-21;/h1-5,17,20H,6-15H2;1H.
What are the key properties of (1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 349.91 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120996210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).