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

C24H28N4O2 — CID 162142467

IUPAC1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea
SMILESO=C(Nc1cccc(OCCN2CCCCC2)c1)Nc1ccccc1C1=CC=NC1
InChIInChI=1S/C24H28N4O2/c29-24(27-23-10-3-2-9-22(23)19-11-12-25-18-19)26-20-7-6-8-21(17-20)30-16-15-28-13-4-1-5-14-28/h2-3,6-12,17H,1,4-5,13-16,18H2,(H2,26,27,29)
InChIKeyNDCROKHIWGUPFI-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.66
Rot. Bonds7

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

1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea (PubChem CID 162142467) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea
PubChem CID162142467
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea
SMILESO=C(Nc1cccc(OCCN2CCCCC2)c1)Nc1ccccc1C1=CC=NC1
InChIInChI=1S/C24H28N4O2/c29-24(27-23-10-3-2-9-22(23)19-11-12-25-18-19)26-20-7-6-8-21(17-20)30-16-15-28-13-4-1-5-14-28/h2-3,6-12,17H,1,4-5,13-16,18H2,(H2,26,27,29)
InChIKeyNDCROKHIWGUPFI-UHFFFAOYSA-N
XLogP4.66
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.66
H-Bond Donors ≤ 52
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
1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 139434928
2,4-dimethyl-N-[3-(2-piperidin-1-ylethoxy)phenyl]-1,3-oxazole-5-carboxamide
CID 75375647
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
CID 138398426
N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide
CID 110604617
3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
CID 15937470
1-(2-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
CID 45486654
4-methyl-3-oxo-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,4-benzoxazine-5-carboxamide
CID 166292593
2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54814501
N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
CID 54813456
N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434898

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea?
The IUPAC name of 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea (CID 162142467) is 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea?
The canonical SMILES for 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea is O=C(Nc1cccc(OCCN2CCCCC2)c1)Nc1ccccc1C1=CC=NC1.
What is the InChIKey of 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea?
The InChIKey is NDCROKHIWGUPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-24(27-23-10-3-2-9-22(23)19-11-12-25-18-19)26-20-7-6-8-21(17-20)30-16-15-28-13-4-1-5-14-28/h2-3,6-12,17H,1,4-5,13-16,18H2,(H2,26,27,29).
What are the key properties of 1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea?
1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(2H-pyrrol-3-yl)phenyl]urea has a molecular weight of 404.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 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-(2H-pyrrol-3-yl)phenyl]urea is sourced from PubChem (CID 162142467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).