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

C18H21ClN4O — CID 47049584

IUPAC1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H21ClN4O/c19-15-1-3-16(4-2-15)21-18(24)22-17-7-11-23(12-8-17)13-14-5-9-20-10-6-14/h1-6,9-10,17H,7-8,11-13H2,(H2,21,22,24)
InChIKeyDXQJGQBMXHFBGE-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.52
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea (PubChem CID 47049584) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
PubChem CID47049584
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H21ClN4O/c19-15-1-3-16(4-2-15)21-18(24)22-17-7-11-23(12-8-17)13-14-5-9-20-10-6-14/h1-6,9-10,17H,7-8,11-13H2,(H2,21,22,24)
InChIKeyDXQJGQBMXHFBGE-UHFFFAOYSA-N
XLogP3.52
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049667
ethane;1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90733645
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47050040
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 47049556
1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049579
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide
CID 75472607
1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
CID 95336201
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 136578364
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea (CID 47049584) is 1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea is O=C(Nc1ccc(Cl)cc1)NC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The InChIKey is DXQJGQBMXHFBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-15-1-3-16(4-2-15)21-18(24)22-17-7-11-23(12-8-17)13-14-5-9-20-10-6-14/h1-6,9-10,17H,7-8,11-13H2,(H2,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea has a molecular weight of 344.85 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 47049584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).