(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone

C17H31N3O — CID 63133034

IUPAC(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)N2CCN(C3CCCC3)CC2)CCCNC1
InChIInChI=1S/C17H31N3O/c1-2-17(8-5-9-18-14-17)16(21)20-12-10-19(11-13-20)15-6-3-4-7-15/h15,18H,2-14H2,1H3
InChIKeyKVFXMESENOQOSA-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.85
Rot. Bonds3

About (4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone

(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone (PubChem CID 63133034) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
PubChem CID63133034
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)N2CCN(C3CCCC3)CC2)CCCNC1
InChIInChI=1S/C17H31N3O/c1-2-17(8-5-9-18-14-17)16(21)20-12-10-19(11-13-20)15-6-3-4-7-15/h15,18H,2-14H2,1H3
InChIKeyKVFXMESENOQOSA-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
(4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63133084
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
(4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63132853
(4-cyclopropylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63131559
1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63132819
(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130238
(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119843049
1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 63140257
(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63128840
(3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 63131367
(4,4-dimethylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 55165162

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone (CID 63133034) is (4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone is CCC1(C(=O)N2CCN(C3CCCC3)CC2)CCCNC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone?
The InChIKey is KVFXMESENOQOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-2-17(8-5-9-18-14-17)16(21)20-12-10-19(11-13-20)15-6-3-4-7-15/h15,18H,2-14H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone?
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone has a molecular weight of 293.45 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone is sourced from PubChem (CID 63133034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).