1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea

C32H36N4O3 — CID 169302239

IUPAC1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea
SMILESCc1cc(OCc2ccc(OCCN3CCCCC3)cc2)c2ccccc2c1NC(=O)NCc1ccccn1
InChIInChI=1S/C32H36N4O3/c1-24-21-30(39-23-25-12-14-27(15-13-25)38-20-19-36-17-7-2-8-18-36)28-10-3-4-11-29(28)31(24)35-32(37)34-22-26-9-5-6-16-33-26/h3-6,9-16,21H,2,7-8,17-20,22-23H2,1H3,(H2,34,35,37)
InChIKeyMTWAKJJESOEMNS-UHFFFAOYSA-N
MW524.67 g/mol
LogP6.31
Rot. Bonds10

About 1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea

1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 169302239) has the molecular formula C32H36N4O3 and a molecular weight of 524.67 g/mol. Its IUPAC name is 1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea
PubChem CID169302239
Molecular FormulaC32H36N4O3
Molecular Weight524.67 g/mol
Exact Mass524.28
IUPAC Name1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea
SMILESCc1cc(OCc2ccc(OCCN3CCCCC3)cc2)c2ccccc2c1NC(=O)NCc1ccccn1
InChIInChI=1S/C32H36N4O3/c1-24-21-30(39-23-25-12-14-27(15-13-25)38-20-19-36-17-7-2-8-18-36)28-10-3-4-11-29(28)31(24)35-32(37)34-22-26-9-5-6-16-33-26/h3-6,9-16,21H,2,7-8,17-20,22-23H2,1H3,(H2,34,35,37)
InChIKeyMTWAKJJESOEMNS-UHFFFAOYSA-N
XLogP6.31
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea (CID 169302239) is 1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea is Cc1cc(OCc2ccc(OCCN3CCCCC3)cc2)c2ccccc2c1NC(=O)NCc1ccccn1.
What is the InChIKey of 1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is MTWAKJJESOEMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O3/c1-24-21-30(39-23-25-12-14-27(15-13-25)38-20-19-36-17-7-2-8-18-36)28-10-3-4-11-29(28)31(24)35-32(37)34-22-26-9-5-6-16-33-26/h3-6,9-16,21H,2,7-8,17-20,22-23H2,1H3,(H2,34,35,37).
What are the key properties of 1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea?
1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 524.67 g/mol, XLogP of 6.31, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 169302239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).