[1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone

C19H27N3O — CID 115056085

IUPAC[1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(c3cccc(CC4(N)CC4)c3)CC2)CC1
InChIInChI=1S/C19H27N3O/c1-21-9-11-22(12-10-21)17(23)19(7-8-19)16-4-2-3-15(13-16)14-18(20)5-6-18/h2-4,13H,5-12,14,20H2,1H3
InChIKeyFQQXBJGVZKDYLC-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.53
Rot. Bonds4

About [1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone

[1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 115056085) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is [1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID115056085
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name[1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(c3cccc(CC4(N)CC4)c3)CC2)CC1
InChIInChI=1S/C19H27N3O/c1-21-9-11-22(12-10-21)17(23)19(7-8-19)16-4-2-3-15(13-16)14-18(20)5-6-18/h2-4,13H,5-12,14,20H2,1H3
InChIKeyFQQXBJGVZKDYLC-UHFFFAOYSA-N
XLogP1.53
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 134034309
[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 53016820
[1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 69308615
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 59395182
1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 115056079
[1-(3-bromophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 55652942
[1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 56818478
ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate
CID 141095818
4-benzyl-1-methylpiperidin-4-amine
CID 39065776
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168328

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone (CID 115056085) is [1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(c3cccc(CC4(N)CC4)c3)CC2)CC1.
What is the InChIKey of [1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FQQXBJGVZKDYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-21-9-11-22(12-10-21)17(23)19(7-8-19)16-4-2-3-15(13-16)14-18(20)5-6-18/h2-4,13H,5-12,14,20H2,1H3.
What are the key properties of [1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
[1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 313.45 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(1-aminocyclopropyl)methyl]phenyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 115056085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).