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

C16H31N3O2 — CID 71916849

IUPAC1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea
SMILESCCC(C)(CC)NC(=O)NCCC1CCN(C(C)=O)CC1
InChIInChI=1S/C16H31N3O2/c1-5-16(4,6-2)18-15(21)17-10-7-14-8-11-19(12-9-14)13(3)20/h14H,5-12H2,1-4H3,(H2,17,18,21)
InChIKeyRHHKIEBEDATEIV-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.51
Rot. Bonds6

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

1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea (PubChem CID 71916849) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea.

Molecular Properties

Compound Name1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea
PubChem CID71916849
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea
SMILESCCC(C)(CC)NC(=O)NCCC1CCN(C(C)=O)CC1
InChIInChI=1S/C16H31N3O2/c1-5-16(4,6-2)18-15(21)17-10-7-14-8-11-19(12-9-14)13(3)20/h14H,5-12H2,1-4H3,(H2,17,18,21)
InChIKeyRHHKIEBEDATEIV-UHFFFAOYSA-N
XLogP2.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-acetylpiperidin-4-yl)ethylcarbamic acid
CID 118540720
1-[4-[3-(methylamino)propyl]piperidin-1-yl]ethanone
CID 166684108
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
(1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate
CID 142766919
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
3-(1-acetylpiperidin-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110000587
1-[(3S)-3-(iodomethyl)pyrrolidin-1-yl]ethanone
CID 96555506
tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
CID 177056107
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 59158861

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea?
The IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea (CID 71916849) is 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea.
What is the SMILES notation for 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea?
The canonical SMILES for 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea is CCC(C)(CC)NC(=O)NCCC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea?
The InChIKey is RHHKIEBEDATEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-16(4,6-2)18-15(21)17-10-7-14-8-11-19(12-9-14)13(3)20/h14H,5-12H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea?
1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea has a molecular weight of 297.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea is sourced from PubChem (CID 71916849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).