1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea

C20H26N4O — CID 134056885

IUPAC1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C20H26N4O/c25-20(22-14-17-7-6-10-21-13-17)23-15-18-8-2-3-9-19(18)16-24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14-16H2,(H2,22,23,25)
InChIKeyUSDZVIQZTGSTJC-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.07
Rot. Bonds6

About 1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea

1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 134056885) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID134056885
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C20H26N4O/c25-20(22-14-17-7-6-10-21-13-17)23-15-18-8-2-3-9-19(18)16-24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14-16H2,(H2,22,23,25)
InChIKeyUSDZVIQZTGSTJC-UHFFFAOYSA-N
XLogP3.07
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 30853061
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 55743895
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]urea
CID 30304866
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
2-(azepan-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506694
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47029720
1-[(4-fluoronaphthalen-1-yl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 167936968
1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 46493843
1-cyclohexyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 94453343
1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 71977852
(Z)-3-(azepan-1-yl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837414

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea (CID 134056885) is 1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)NCc1ccccc1CN1CCCCC1.
What is the InChIKey of 1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is USDZVIQZTGSTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(22-14-17-7-6-10-21-13-17)23-15-18-8-2-3-9-19(18)16-24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14-16H2,(H2,22,23,25).
What are the key properties of 1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 338.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 134056885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).