2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide

C19H30N4O2 — CID 86797721

IUPAC2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCCOc1cc(N2CCC(NC(=O)CC3CCCCC3)CC2)ncn1
InChIInChI=1S/C19H30N4O2/c1-2-25-19-13-17(20-14-21-19)23-10-8-16(9-11-23)22-18(24)12-15-6-4-3-5-7-15/h13-16H,2-12H2,1H3,(H,22,24)
InChIKeyZAGSNLJSCNEWJB-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.93
Rot. Bonds6

About 2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide

2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 86797721) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID86797721
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCCOc1cc(N2CCC(NC(=O)CC3CCCCC3)CC2)ncn1
InChIInChI=1S/C19H30N4O2/c1-2-25-19-13-17(20-14-21-19)23-10-8-16(9-11-23)22-18(24)12-15-6-4-3-5-7-15/h13-16H,2-12H2,1H3,(H,22,24)
InChIKeyZAGSNLJSCNEWJB-UHFFFAOYSA-N
XLogP2.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclohexyl-3-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)urea
CID 44069692
N-[2-(6-piperidino-4-pyrimidinyloxy)ethyl]cyclopropanecarboxamide
CID 44069694
Cyclopentyl{3-[(6-piperidino-4-pyrimidinyl)oxy]-1-pyrrolidinyl}methanone
CID 53185881
(4aS*,8aR*)-6-(2-amino-6-methoxypyrimidin-4-yl)-1-propyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56885277
N-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)cyclopentanecarboxamide
CID 45541869
2-cyclopentyl-1-[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone
CID 95108011
(6R)-2-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96399302
(3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide
CID 97327723
(4aR,8aS)-1-(3-hydroxypropyl)-6-(6-methoxypyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164632028
4-Fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
CID 168867311
1-(6-ethoxypyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75510036
1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 86926097

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide (CID 86797721) is 2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide is CCOc1cc(N2CCC(NC(=O)CC3CCCCC3)CC2)ncn1.
What is the InChIKey of 2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is ZAGSNLJSCNEWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-2-25-19-13-17(20-14-21-19)23-10-8-16(9-11-23)22-18(24)12-15-6-4-3-5-7-15/h13-16H,2-12H2,1H3,(H,22,24).
What are the key properties of 2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 86797721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).