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

C23H27N5O2 — CID 139434962

IUPAC1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(Nc1cccc(OCCN2CCCCC2)c1)Nc1ccccc1-c1ccn[nH]1
InChIInChI=1S/C23H27N5O2/c29-23(26-21-10-3-2-9-20(21)22-11-12-24-27-22)25-18-7-6-8-19(17-18)30-16-15-28-13-4-1-5-14-28/h2-3,6-12,17H,1,4-5,13-16H2,(H,24,27)(H2,25,26,29)
InChIKeyYWOOHXYKCURLSX-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.59
Rot. Bonds7

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

1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea (PubChem CID 139434962) 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-[2-(1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea
PubChem CID139434962
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(Nc1cccc(OCCN2CCCCC2)c1)Nc1ccccc1-c1ccn[nH]1
InChIInChI=1S/C23H27N5O2/c29-23(26-21-10-3-2-9-20(21)22-11-12-24-27-22)25-18-7-6-8-19(17-18)30-16-15-28-13-4-1-5-14-28/h2-3,6-12,17H,1,4-5,13-16H2,(H,24,27)(H2,25,26,29)
InChIKeyYWOOHXYKCURLSX-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-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 139434928
1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea
CID 162142467
N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434941
2,4-dimethyl-N-[3-(2-piperidin-1-ylethoxy)phenyl]-1,3-oxazole-5-carboxamide
CID 75375647
N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434898
1-(2-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
CID 45486654
2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
CID 138398426
N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
CID 54813456
3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
CID 15937470
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434958
2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54814501

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea (CID 139434962) is 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea is O=C(Nc1cccc(OCCN2CCCCC2)c1)Nc1ccccc1-c1ccn[nH]1.
What is the InChIKey of 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is YWOOHXYKCURLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-23(26-21-10-3-2-9-20(21)22-11-12-24-27-22)25-18-7-6-8-19(17-18)30-16-15-28-13-4-1-5-14-28/h2-3,6-12,17H,1,4-5,13-16H2,(H,24,27)(H2,25,26,29).
What are the key properties of 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea?
1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(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-[2-(1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 139434962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).