(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone

C16H22N2O — CID 119579725

IUPAC(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2(Cc3ccccc3)CC2)CCN1
InChIInChI=1S/C16H22N2O/c1-13-12-18(10-9-17-13)15(19)16(7-8-16)11-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3
InChIKeyKATQAHGMQJGSLJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.83
Rot. Bonds3

About (1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone

(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 119579725) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone
PubChem CID119579725
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2(Cc3ccccc3)CC2)CCN1
InChIInChI=1S/C16H22N2O/c1-13-12-18(10-9-17-13)15(19)16(7-8-16)11-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3
InChIKeyKATQAHGMQJGSLJ-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 81426595
(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996210
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
CID 119486293
(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563003
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide
CID 166176518
(1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 136583063
[1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579598
[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620383
(4-benzyl-1-methylpiperidin-4-yl)-[(6R)-6-(phenylmethoxymethyl)-1,4-diazepan-1-yl]methanone
CID 125019565
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylcyclopropyl)methanone;hydrochloride
CID 119519935
(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride
CID 155820492

Frequently Asked Questions

What is the IUPAC name of (1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone (CID 119579725) is (1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)C2(Cc3ccccc3)CC2)CCN1.
What is the InChIKey of (1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is KATQAHGMQJGSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-12-18(10-9-17-13)15(19)16(7-8-16)11-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3.
What are the key properties of (1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone?
(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 258.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119579725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).