2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one

C19H35N3O2 — CID 110423178

IUPAC2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one
SMILESCCN(CC)CCC(=O)N1CCN(C(=O)C(C)C2CCCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-4-20(5-2)11-10-18(23)21-12-14-22(15-13-21)19(24)16(3)17-8-6-7-9-17/h16-17H,4-15H2,1-3H3
InChIKeyUWRVHAOROKHWCI-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.22
Rot. Bonds7

About 2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one

2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one (PubChem CID 110423178) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one
PubChem CID110423178
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one
SMILESCCN(CC)CCC(=O)N1CCN(C(=O)C(C)C2CCCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-4-20(5-2)11-10-18(23)21-12-14-22(15-13-21)19(24)16(3)17-8-6-7-9-17/h16-17H,4-15H2,1-3H3
InChIKeyUWRVHAOROKHWCI-UHFFFAOYSA-N
XLogP2.22
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110420494
4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110422402
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one
CID 110617966
1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one
CID 82042195
1-[4-(1-bromoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one
CID 106839353
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110603336
2-cyclopentyl-N-[2-(diethylamino)ethyl]-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 24719241
3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 162750091
4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-sulfonamide
CID 110611641
(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95295952
2-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 110605936
4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 108569569

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one (CID 110423178) is 2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one is CCN(CC)CCC(=O)N1CCN(C(=O)C(C)C2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one?
The InChIKey is UWRVHAOROKHWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-4-20(5-2)11-10-18(23)21-12-14-22(15-13-21)19(24)16(3)17-8-6-7-9-17/h16-17H,4-15H2,1-3H3.
What are the key properties of 2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one?
2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one has a molecular weight of 337.51 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110423178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).