3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one

C15H29N3O — CID 174181009

IUPAC3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
SMILESCCN1CCN(CCC(=O)N2CC(C(C)C)C2)CC1
InChIInChI=1S/C15H29N3O/c1-4-16-7-9-17(10-8-16)6-5-15(19)18-11-14(12-18)13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyKJQUNXJKVMQCNB-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.13
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one

3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one (PubChem CID 174181009) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
PubChem CID174181009
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
SMILESCCN1CCN(CCC(=O)N2CC(C(C)C)C2)CC1
InChIInChI=1S/C15H29N3O/c1-4-16-7-9-17(10-8-16)6-5-15(19)18-11-14(12-18)13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyKJQUNXJKVMQCNB-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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Related Compounds

1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119379909
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone
CID 177010544
1-(4-butan-2-ylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;ethane
CID 176985885
3-(4-ethylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 167027277
4-(4-ethylpiperazin-1-yl)butan-2-one
CID 20802873
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469
1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
CID 169188679
ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen
CID 166466675
(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone
CID 167480116
N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide
CID 154670605
1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one
CID 62625465

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one (CID 174181009) is 3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one is CCN1CCN(CCC(=O)N2CC(C(C)C)C2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one?
The InChIKey is KJQUNXJKVMQCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-16-7-9-17(10-8-16)6-5-15(19)18-11-14(12-18)13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one?
3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one 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 3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 174181009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).