1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea

C16H25N3O2 — CID 42473211

IUPAC1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea
SMILESCOc1ccccc1NC(=O)NC[C@@H](C)N1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-13(19-10-6-3-7-11-19)12-17-16(20)18-14-8-4-5-9-15(14)21-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyDLHFUVPVQJMNGP-CYBMUJFWSA-N
MW291.39 g/mol
LogP2.69
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea

1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea (PubChem CID 42473211) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea
PubChem CID42473211
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea
SMILESCOc1ccccc1NC(=O)NC[C@@H](C)N1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-13(19-10-6-3-7-11-19)12-17-16(20)18-14-8-4-5-9-15(14)21-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyDLHFUVPVQJMNGP-CYBMUJFWSA-N
XLogP2.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 30293942
1-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 43956388
1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
CID 55102521
1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 94800132
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
CID 94393323
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyphenyl)urea
CID 24665000
3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid
CID 81066539
1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea
CID 46647393
N-(2-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 550974

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea (CID 42473211) is 1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea is COc1ccccc1NC(=O)NC[C@@H](C)N1CCCCC1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea?
The InChIKey is DLHFUVPVQJMNGP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(19-10-6-3-7-11-19)12-17-16(20)18-14-8-4-5-9-15(14)21-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H2,17,18,20)/t13-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea?
1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea has a molecular weight of 291.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea is sourced from PubChem (CID 42473211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).