(4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone

C15H25N3O — CID 63128341

IUPAC(4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)C2(CC)CCNCC2)CC1
InChIInChI=1S/C15H25N3O/c1-3-9-17-10-12-18(13-11-17)14(19)15(4-2)5-7-16-8-6-15/h1,16H,4-13H2,2H3
InChIKeyBMXPFCGNAIJRRZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.54
Rot. Bonds3

About (4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone

(4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone (PubChem CID 63128341) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
PubChem CID63128341
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)C2(CC)CCNCC2)CC1
InChIInChI=1S/C15H25N3O/c1-3-9-17-10-12-18(13-11-17)14(19)15(4-2)5-7-16-8-6-15/h1,16H,4-13H2,2H3
InChIKeyBMXPFCGNAIJRRZ-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-ethylpiperidine-4-carbonyl)piperazin-1-yl]-N-methylacetamide
CID 63128392
(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 55176815
(4-ethylpiperidin-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 63128723
(4-ethylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127823
(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63128840
1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 63140257
(4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127821
N-[1-(4-ethylpiperidine-4-carbonyl)piperidin-4-yl]propanamide
CID 63128379
(7,7-dimethyl-1,4-thiazepan-4-yl)-(4-ethylpiperidin-4-yl)methanone
CID 107454654
(4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220328
(4-ethylpiperidin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217313
(4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217135

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone (CID 63128341) is (4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone is C#CCN1CCN(C(=O)C2(CC)CCNCC2)CC1.
What is the InChIKey of (4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The InChIKey is BMXPFCGNAIJRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-9-17-10-12-18(13-11-17)14(19)15(4-2)5-7-16-8-6-15/h1,16H,4-13H2,2H3.
What are the key properties of (4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
(4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone has a molecular weight of 263.38 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone is sourced from PubChem (CID 63128341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).