1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea

C23H27N5O2 — CID 139434928

IUPAC1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(Nc1cccc(OCCN2CCCCC2)c1)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C23H27N5O2/c29-23(25-19-7-4-6-18(16-19)22-10-11-24-27-22)26-20-8-5-9-21(17-20)30-15-14-28-12-2-1-3-13-28/h4-11,16-17H,1-3,12-15H2,(H,24,27)(H2,25,26,29)
InChIKeyGYGOIVAYYYMXCJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.59
Rot. Bonds7

About 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea

1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea (PubChem CID 139434928) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
PubChem CID139434928
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(Nc1cccc(OCCN2CCCCC2)c1)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C23H27N5O2/c29-23(25-19-7-4-6-18(16-19)22-10-11-24-27-22)26-20-8-5-9-21(17-20)30-15-14-28-12-2-1-3-13-28/h4-11,16-17H,1-3,12-15H2,(H,24,27)(H2,25,26,29)
InChIKeyGYGOIVAYYYMXCJ-UHFFFAOYSA-N
XLogP4.59
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea
CID 139434962
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea
CID 162142467
2,4-dimethyl-N-[3-(2-piperidin-1-ylethoxy)phenyl]-1,3-oxazole-5-carboxamide
CID 75375647
2-(4-fluorophenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38808772
3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
CID 15937470
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403649
1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea
CID 69346336
4-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrrole-2-carboxylic acid
CID 167844599

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea (CID 139434928) is 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea is O=C(Nc1cccc(OCCN2CCCCC2)c1)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is GYGOIVAYYYMXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-23(25-19-7-4-6-18(16-19)22-10-11-24-27-22)26-20-8-5-9-21(17-20)30-15-14-28-12-2-1-3-13-28/h4-11,16-17H,1-3,12-15H2,(H,24,27)(H2,25,26,29).
What are the key properties of 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 405.50 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 139434928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).