2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone

C15H29N3O — CID 84595704

IUPAC2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC1CC1CN(CC(=O)N1CCN(C)CC1)C(C)C
InChIInChI=1S/C15H29N3O/c1-12(2)18(10-14-9-13(14)3)11-15(19)17-7-5-16(4)6-8-17/h12-14H,5-11H2,1-4H3
InChIKeyMFJCFWOMZNGVGY-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.13
Rot. Bonds5

About 2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone

2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 84595704) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID84595704
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC1CC1CN(CC(=O)N1CCN(C)CC1)C(C)C
InChIInChI=1S/C15H29N3O/c1-12(2)18(10-14-9-13(14)3)11-15(19)17-7-5-16(4)6-8-17/h12-14H,5-11H2,1-4H3
InChIKeyMFJCFWOMZNGVGY-UHFFFAOYSA-N
XLogP1.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone (CID 84595704) is 2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone is CC1CC1CN(CC(=O)N1CCN(C)CC1)C(C)C.
What is the InChIKey of 2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is MFJCFWOMZNGVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)18(10-14-9-13(14)3)11-15(19)17-7-5-16(4)6-8-17/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 84595704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).