1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea

C20H26N4O3 — CID 97454834

IUPAC1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea
SMILESO=C(NCCN1CCCC[C@@H]1CO)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C20H26N4O3/c25-15-17-6-4-5-12-24(17)13-11-21-20(26)23-16-9-10-19(22-14-16)27-18-7-2-1-3-8-18/h1-3,7-10,14,17,25H,4-6,11-13,15H2,(H2,21,23,26)/t17-/m1/s1
InChIKeyGTRVECZQADVZCS-QGZVFWFLSA-N
MW370.45 g/mol
LogP2.84
Rot. Bonds7

About 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea

1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea (PubChem CID 97454834) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea
PubChem CID97454834
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea
SMILESO=C(NCCN1CCCC[C@@H]1CO)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C20H26N4O3/c25-15-17-6-4-5-12-24(17)13-11-21-20(26)23-16-9-10-19(22-14-16)27-18-7-2-1-3-8-18/h1-3,7-10,14,17,25H,4-6,11-13,15H2,(H2,21,23,26)/t17-/m1/s1
InChIKeyGTRVECZQADVZCS-QGZVFWFLSA-N
XLogP2.84
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea with MolForge

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Related Compounds

N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 71845869
1-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-phenylurea
CID 97016233
2-[4-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]phenyl]-N-methylacetamide
CID 125171086
(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 97443663
1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-isoquinolin-5-ylurea
CID 118783725
1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea
CID 42878418
(2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 42286968
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(6-chloro-3-pyridinyl)urea
CID 97451631
(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 25274218
1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 45197081
1-(3-chloro-2-fluorophenyl)-3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 118774897

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea?
The IUPAC name of 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea (CID 97454834) is 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea is O=C(NCCN1CCCC[C@@H]1CO)Nc1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea?
The InChIKey is GTRVECZQADVZCS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-15-17-6-4-5-12-24(17)13-11-21-20(26)23-16-9-10-19(22-14-16)27-18-7-2-1-3-8-18/h1-3,7-10,14,17,25H,4-6,11-13,15H2,(H2,21,23,26)/t17-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea?
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea has a molecular weight of 370.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea is sourced from PubChem (CID 97454834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).