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

C18H28N4O2 — CID 86797720

IUPAC2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCCOc1cc(N2CCC(NC(=O)CC3CCCC3)CC2)ncn1
InChIInChI=1S/C18H28N4O2/c1-2-24-18-12-16(19-13-20-18)22-9-7-15(8-10-22)21-17(23)11-14-5-3-4-6-14/h12-15H,2-11H2,1H3,(H,21,23)
InChIKeyDOBAITOABCPXNX-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.54
Rot. Bonds6

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

2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 86797720) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID86797720
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCCOc1cc(N2CCC(NC(=O)CC3CCCC3)CC2)ncn1
InChIInChI=1S/C18H28N4O2/c1-2-24-18-12-16(19-13-20-18)22-9-7-15(8-10-22)21-17(23)11-14-5-3-4-6-14/h12-15H,2-11H2,1H3,(H,21,23)
InChIKeyDOBAITOABCPXNX-UHFFFAOYSA-N
XLogP2.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Amino-6-isopropoxypyrimidin-4-YL)piperidine-4-carboxamide
CID 50950377
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
cyclopentyl-[(3S)-3-[(4-methoxypyrimidin-2-yl)amino]azepan-1-yl]methanone
CID 96571256
(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
1-[(3S,4S)-4-amino-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 140521100
1-[(3S,4S)-4-amino-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 140521101

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide (CID 86797720) is 2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide is CCOc1cc(N2CCC(NC(=O)CC3CCCC3)CC2)ncn1.
What is the InChIKey of 2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is DOBAITOABCPXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-24-18-12-16(19-13-20-18)22-9-7-15(8-10-22)21-17(23)11-14-5-3-4-6-14/h12-15H,2-11H2,1H3,(H,21,23).
What are the key properties of 2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 86797720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).