1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea

C21H32N4O3 — CID 136526374

IUPAC1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea
SMILESCOc1cccc(N2CCCC(NC(=O)NCC3CCN(C(C)=O)CC3)C2)c1
InChIInChI=1S/C21H32N4O3/c1-16(26)24-11-8-17(9-12-24)14-22-21(27)23-18-5-4-10-25(15-18)19-6-3-7-20(13-19)28-2/h3,6-7,13,17-18H,4-5,8-12,14-15H2,1-2H3,(H2,22,23,27)
InChIKeyMQZUTKRIHBKCRB-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.22
Rot. Bonds5

About 1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea

1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea (PubChem CID 136526374) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea
PubChem CID136526374
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea
SMILESCOc1cccc(N2CCCC(NC(=O)NCC3CCN(C(C)=O)CC3)C2)c1
InChIInChI=1S/C21H32N4O3/c1-16(26)24-11-8-17(9-12-24)14-22-21(27)23-18-5-4-10-25(15-18)19-6-3-7-20(13-19)28-2/h3,6-7,13,17-18H,4-5,8-12,14-15H2,1-2H3,(H2,22,23,27)
InChIKeyMQZUTKRIHBKCRB-UHFFFAOYSA-N
XLogP2.22
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea with MolForge

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Related Compounds

1-(4-hydroxycyclohexyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300487
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 124861385
1-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109395282
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210
1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea
CID 95157772
(3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 98763526
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride
CID 119884229

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea?
The IUPAC name of 1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea (CID 136526374) is 1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea?
The canonical SMILES for 1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea is COc1cccc(N2CCCC(NC(=O)NCC3CCN(C(C)=O)CC3)C2)c1.
What is the InChIKey of 1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea?
The InChIKey is MQZUTKRIHBKCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-16(26)24-11-8-17(9-12-24)14-22-21(27)23-18-5-4-10-25(15-18)19-6-3-7-20(13-19)28-2/h3,6-7,13,17-18H,4-5,8-12,14-15H2,1-2H3,(H2,22,23,27).
What are the key properties of 1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea?
1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea has a molecular weight of 388.51 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea is sourced from PubChem (CID 136526374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).