3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea

C19H30N4O2 — CID 95980253

IUPAC3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea
SMILESCOc1ccccc1NC(=O)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C19H30N4O2/c1-21-11-8-15(9-12-21)23-13-10-16(14-23)22(2)19(24)20-17-6-4-5-7-18(17)25-3/h4-7,15-16H,8-14H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeyRJWUTWMJSAHTDX-MRXNPFEDSA-N
MW346.47 g/mol
LogP2.33
Rot. Bonds4

About 3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea

3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea (PubChem CID 95980253) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea
PubChem CID95980253
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea
SMILESCOc1ccccc1NC(=O)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C19H30N4O2/c1-21-11-8-15(9-12-21)23-13-10-16(14-23)22(2)19(24)20-17-6-4-5-7-18(17)25-3/h4-7,15-16H,8-14H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeyRJWUTWMJSAHTDX-MRXNPFEDSA-N
XLogP2.33
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-3-(2-methoxyphenyl)-1-methylurea
CID 95784313
1-(1,3-dimethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-methylurea
CID 86768670
3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108867823
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167818237
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
CID 16813051
1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea
CID 95724999
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 166280765
N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide
CID 97250421
2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 48737094
N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 139000172

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea?
The IUPAC name of 3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea (CID 95980253) is 3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea?
The canonical SMILES for 3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea is COc1ccccc1NC(=O)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea?
The InChIKey is RJWUTWMJSAHTDX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-21-11-8-15(9-12-21)23-13-10-16(14-23)22(2)19(24)20-17-6-4-5-7-18(17)25-3/h4-7,15-16H,8-14H2,1-3H3,(H,20,24)/t16-/m1/s1.
What are the key properties of 3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea?
3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea has a molecular weight of 346.47 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 95980253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).