1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea

C20H25N5O3 — CID 167782728

IUPAC1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea
SMILESCC(=O)N1CCC(CCNC(=O)Nc2ncc(Oc3ccccc3)cn2)CC1
InChIInChI=1S/C20H25N5O3/c1-15(26)25-11-8-16(9-12-25)7-10-21-20(27)24-19-22-13-18(14-23-19)28-17-5-3-2-4-6-17/h2-6,13-14,16H,7-12H2,1H3,(H2,21,22,23,24,27)
InChIKeyRRRRENCWHKXBKB-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.04
Rot. Bonds6

About 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea

1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea (PubChem CID 167782728) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea
PubChem CID167782728
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea
SMILESCC(=O)N1CCC(CCNC(=O)Nc2ncc(Oc3ccccc3)cn2)CC1
InChIInChI=1S/C20H25N5O3/c1-15(26)25-11-8-16(9-12-25)7-10-21-20(27)24-19-22-13-18(14-23-19)28-17-5-3-2-4-6-17/h2-6,13-14,16H,7-12H2,1H3,(H2,21,22,23,24,27)
InChIKeyRRRRENCWHKXBKB-UHFFFAOYSA-N
XLogP3.04
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
2-(1-acetylpiperidin-4-yl)ethylcarbamic acid
CID 118540720
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenoxyacetamide
CID 50875305
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 56519173
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
CID 14851781
1-[4-(2-phenoxyethylamino)piperidin-1-yl]ethanone
CID 54941279
ethane;1-[4-[[[6-(methylamino)-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone
CID 154695660
1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea
CID 154859659
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide
CID 50875549
1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea
CID 71916849
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
CID 46378993

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea?
The IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea (CID 167782728) is 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea.
What is the SMILES notation for 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea?
The canonical SMILES for 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea is CC(=O)N1CCC(CCNC(=O)Nc2ncc(Oc3ccccc3)cn2)CC1.
What is the InChIKey of 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea?
The InChIKey is RRRRENCWHKXBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15(26)25-11-8-16(9-12-25)7-10-21-20(27)24-19-22-13-18(14-23-19)28-17-5-3-2-4-6-17/h2-6,13-14,16H,7-12H2,1H3,(H2,21,22,23,24,27).
What are the key properties of 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea?
1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea has a molecular weight of 383.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea is sourced from PubChem (CID 167782728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).