1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea

C18H29N3O2 — CID 100660209

IUPAC1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
SMILESCO[C@H](C)CNC(=O)NC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C18H29N3O2/c1-14-5-4-6-16(11-14)13-21-9-7-17(8-10-21)20-18(22)19-12-15(2)23-3/h4-6,11,15,17H,7-10,12-13H2,1-3H3,(H2,19,20,22)/t15-/m1/s1
InChIKeyKYUYWVUMHDTUOR-OAHLLOKOSA-N
MW319.45 g/mol
LogP2.29
Rot. Bonds6

About 1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea

1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea (PubChem CID 100660209) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
PubChem CID100660209
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
SMILESCO[C@H](C)CNC(=O)NC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C18H29N3O2/c1-14-5-4-6-16(11-14)13-21-9-7-17(8-10-21)20-18(22)19-12-15(2)23-3/h4-6,11,15,17H,7-10,12-13H2,1-3H3,(H2,19,20,22)/t15-/m1/s1
InChIKeyKYUYWVUMHDTUOR-OAHLLOKOSA-N
XLogP2.29
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
(2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 124735855
1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea
CID 134801782
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide
CID 55964244
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55735415
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]prop-2-enamide
CID 94717552
1-cyclohexyl-3-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]urea
CID 33127964

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea?
The IUPAC name of 1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea (CID 100660209) is 1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea?
The canonical SMILES for 1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea is CO[C@H](C)CNC(=O)NC1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of 1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea?
The InChIKey is KYUYWVUMHDTUOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-5-4-6-16(11-14)13-21-9-7-17(8-10-21)20-18(22)19-12-15(2)23-3/h4-6,11,15,17H,7-10,12-13H2,1-3H3,(H2,19,20,22)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea?
1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea has a molecular weight of 319.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea is sourced from PubChem (CID 100660209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).