1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one

C14H25N3O2 — CID 62836073

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H25N3O2/c1-4-15-14(2,3)13(19)17-9-7-16(8-10-17)12(18)11-5-6-11/h11,15H,4-10H2,1-3H3
InChIKeyNSXJHEGVMDDIGP-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.46
Rot. Bonds4

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one (PubChem CID 62836073) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
PubChem CID62836073
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H25N3O2/c1-4-15-14(2,3)13(19)17-9-7-16(8-10-17)12(18)11-5-6-11/h11,15H,4-10H2,1-3H3
InChIKeyNSXJHEGVMDDIGP-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 62833921
2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one
CID 63626151
3-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 81489049
N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide
CID 62835323
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 107220750
2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one
CID 63635973
2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63167293
N-[1-[2-(ethylamino)-2-methylpropanoyl]piperidin-4-yl]-2-methoxyacetamide
CID 62836448
2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170525
1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 55156122
[4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone
CID 134166280
2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 44616106

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one (CID 62836073) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one is CCNC(C)(C)C(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one?
The InChIKey is NSXJHEGVMDDIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-15-14(2,3)13(19)17-9-7-16(8-10-17)12(18)11-5-6-11/h11,15H,4-10H2,1-3H3.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one has a molecular weight of 267.37 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 62836073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).