1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

C22H24N4O — CID 47049579

IUPAC1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
SMILESO=C(Nc1cccc2ccccc12)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(25-21-7-3-5-18-4-1-2-6-20(18)21)24-19-10-14-26(15-11-19)16-17-8-12-23-13-9-17/h1-9,12-13,19H,10-11,14-16H2,(H2,24,25,27)
InChIKeyLFJHSDYDQLVMKA-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.02
Rot. Bonds4

About 1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea (PubChem CID 47049579) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
PubChem CID47049579
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
SMILESO=C(Nc1cccc2ccccc12)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(25-21-7-3-5-18-4-1-2-6-20(18)21)24-19-10-14-26(15-11-19)16-17-8-12-23-13-9-17/h1-9,12-13,19H,10-11,14-16H2,(H2,24,25,27)
InChIKeyLFJHSDYDQLVMKA-UHFFFAOYSA-N
XLogP4.02
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 47049556
1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea
CID 166404367
1-(3-phenylpropyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47065812
1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea
CID 2813504
1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
1-[(1-phenylcyclopropyl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 51122194
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049667
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea (CID 47049579) is 1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea is O=C(Nc1cccc2ccccc12)NC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The InChIKey is LFJHSDYDQLVMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(25-21-7-3-5-18-4-1-2-6-20(18)21)24-19-10-14-26(15-11-19)16-17-8-12-23-13-9-17/h1-9,12-13,19H,10-11,14-16H2,(H2,24,25,27).
What are the key properties of 1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea has a molecular weight of 360.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 47049579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).