1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea

C19H31N3O — CID 95765182

IUPAC1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea
SMILESCC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C19H31N3O/c1-5-16-7-6-12-22(13-16)19(3,4)14-20-18(23)21-17-10-8-15(2)9-11-17/h8-11,16H,5-7,12-14H2,1-4H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyAUXCHQIYKFTVIE-MRXNPFEDSA-N
MW317.48 g/mol
LogP4.02
Rot. Bonds5

About 1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea

1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea (PubChem CID 95765182) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea
PubChem CID95765182
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea
SMILESCC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C19H31N3O/c1-5-16-7-6-12-22(13-16)19(3,4)14-20-18(23)21-17-10-8-15(2)9-11-17/h8-11,16H,5-7,12-14H2,1-4H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyAUXCHQIYKFTVIE-MRXNPFEDSA-N
XLogP4.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide
CID 51124918
1-[2-[(3S)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(pyridin-3-ylmethyl)urea
CID 95622001
4-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 86936225
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(methylamino)acetamide
CID 120704469
2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-phenylpropanamide
CID 120596832
5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
CID 120646712
1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea
CID 51124917
(2R)-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]piperidine-2-carboxamide
CID 119884432
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119884497
1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea
CID 94799282
trans-(1S,2S)-N-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 124817001
cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95307440

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea (CID 95765182) is 1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea is CC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2ccc(C)cc2)C1.
What is the InChIKey of 1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea?
The InChIKey is AUXCHQIYKFTVIE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-16-7-6-12-22(13-16)19(3,4)14-20-18(23)21-17-10-8-15(2)9-11-17/h8-11,16H,5-7,12-14H2,1-4H3,(H2,20,21,23)/t16-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea?
1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea has a molecular weight of 317.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 95765182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).