1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea

C18H27N3O2 — CID 95200748

IUPAC1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NC[C@H]2CCCN(C(C)C)C2)cc1
InChIInChI=1S/C18H27N3O2/c1-13(2)21-10-4-5-15(12-21)11-19-18(23)20-17-8-6-16(7-9-17)14(3)22/h6-9,13,15H,4-5,10-12H2,1-3H3,(H2,19,20,23)/t15-/m1/s1
InChIKeyYSJOABJQPIKCJS-OAHLLOKOSA-N
MW317.43 g/mol
LogP3.13
Rot. Bonds5

About 1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea

1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea (PubChem CID 95200748) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
PubChem CID95200748
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NC[C@H]2CCCN(C(C)C)C2)cc1
InChIInChI=1S/C18H27N3O2/c1-13(2)21-10-4-5-15(12-21)11-19-18(23)20-17-8-6-16(7-9-17)14(3)22/h6-9,13,15H,4-5,10-12H2,1-3H3,(H2,19,20,23)/t15-/m1/s1
InChIKeyYSJOABJQPIKCJS-OAHLLOKOSA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-nitrophenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
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N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide
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1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
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1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
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1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 98763620
1-oxido-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-1-ium-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea (CID 95200748) is 1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea is CC(=O)c1ccc(NC(=O)NC[C@H]2CCCN(C(C)C)C2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea?
The InChIKey is YSJOABJQPIKCJS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)21-10-4-5-15(12-21)11-19-18(23)20-17-8-6-16(7-9-17)14(3)22/h6-9,13,15H,4-5,10-12H2,1-3H3,(H2,19,20,23)/t15-/m1/s1.
What are the key properties of 1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea?
1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea has a molecular weight of 317.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea is sourced from PubChem (CID 95200748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).