1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea

C23H36N4O2 — CID 169098988

IUPAC1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea
SMILESC[C@@H]1CCCN1CCNC(=O)Nc1ccc(OC2CC(N3CCCCC3)C2)cc1
InChIInChI=1S/C23H36N4O2/c1-18-6-5-14-26(18)15-11-24-23(28)25-19-7-9-21(10-8-19)29-22-16-20(17-22)27-12-3-2-4-13-27/h7-10,18,20,22H,2-6,11-17H2,1H3,(H2,24,25,28)/t18-,20?,22?/m1/s1
InChIKeyBCFBHQDTZTXHRR-HOHBBMLPSA-N
MW400.57 g/mol
LogP3.69
Rot. Bonds7

About 1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea

1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea (PubChem CID 169098988) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea.

Molecular Properties

Compound Name1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea
PubChem CID169098988
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea
SMILESC[C@@H]1CCCN1CCNC(=O)Nc1ccc(OC2CC(N3CCCCC3)C2)cc1
InChIInChI=1S/C23H36N4O2/c1-18-6-5-14-26(18)15-11-24-23(28)25-19-7-9-21(10-8-19)29-22-16-20(17-22)27-12-3-2-4-13-27/h7-10,18,20,22H,2-6,11-17H2,1H3,(H2,24,25,28)/t18-,20?,22?/m1/s1
InChIKeyBCFBHQDTZTXHRR-HOHBBMLPSA-N
XLogP3.69
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea with MolForge

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Related Compounds

1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea
CID 169099000
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CID 43468974
1-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200
1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
CID 769372
1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 94145583
1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 71895021
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 94166826
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180
1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72924084
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
CID 72840637
methyl 4-[[2-[(2R)-2-methylpiperidin-1-yl]ethylcarbamoylamino]methyl]benzoate
CID 51957643
N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea?
The IUPAC name of 1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea (CID 169098988) is 1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea.
What is the SMILES notation for 1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea?
The canonical SMILES for 1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea is C[C@@H]1CCCN1CCNC(=O)Nc1ccc(OC2CC(N3CCCCC3)C2)cc1.
What is the InChIKey of 1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea?
The InChIKey is BCFBHQDTZTXHRR-HOHBBMLPSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-18-6-5-14-26(18)15-11-24-23(28)25-19-7-9-21(10-8-19)29-22-16-20(17-22)27-12-3-2-4-13-27/h7-10,18,20,22H,2-6,11-17H2,1H3,(H2,24,25,28)/t18-,20?,22?/m1/s1.
What are the key properties of 1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea?
1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea has a molecular weight of 400.57 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea is sourced from PubChem (CID 169098988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).