1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone

C16H28N2O2 — CID 168881748

IUPAC1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone
SMILESCCNC1CCC(C(=O)N2CCC(C(C)=O)CC2)CC1
InChIInChI=1S/C16H28N2O2/c1-3-17-15-6-4-14(5-7-15)16(20)18-10-8-13(9-11-18)12(2)19/h13-15,17H,3-11H2,1-2H3
InChIKeyXFDNPZLMXNOGDJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.98
Rot. Bonds4

About 1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone

1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone (PubChem CID 168881748) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone
PubChem CID168881748
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone
SMILESCCNC1CCC(C(=O)N2CCC(C(C)=O)CC2)CC1
InChIInChI=1S/C16H28N2O2/c1-3-17-15-6-4-14(5-7-15)16(20)18-10-8-13(9-11-18)12(2)19/h13-15,17H,3-11H2,1-2H3
InChIKeyXFDNPZLMXNOGDJ-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-[4-(ethylamino)cyclohexanecarbonyl]pyrrolidin-3-yl]-2-methylidenebutan-1-one;molecular hydrogen
CID 168882680
1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone
CID 63952287
[4-(ethylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477778
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
cyclopropyl-[4-(pentan-3-ylamino)piperidin-1-yl]methanone
CID 43747893
ethane;1-[4-[4-(methylamino)piperazine-1-carbonyl]cyclohexyl]ethanone
CID 168882321
[4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone
CID 107445266
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone (CID 168881748) is 1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone is CCNC1CCC(C(=O)N2CCC(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone?
The InChIKey is XFDNPZLMXNOGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-17-15-6-4-14(5-7-15)16(20)18-10-8-13(9-11-18)12(2)19/h13-15,17H,3-11H2,1-2H3.
What are the key properties of 1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone?
1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone has a molecular weight of 280.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 168881748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).