1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea

C23H32N4O2 — CID 143531600

IUPAC1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea
SMILESCOc1ccc(-c2ccc(NC(=O)NC(C)CCCN3CCCCC3)cc2)cn1
InChIInChI=1S/C23H32N4O2/c1-18(7-6-16-27-14-4-3-5-15-27)25-23(28)26-21-11-8-19(9-12-21)20-10-13-22(29-2)24-17-20/h8-13,17-18H,3-7,14-16H2,1-2H3,(H2,25,26,28)
InChIKeyYUNQKAZAGVYGOJ-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.53
Rot. Bonds8

About 1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea

1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea (PubChem CID 143531600) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea.

Molecular Properties

Compound Name1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea
PubChem CID143531600
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea
SMILESCOc1ccc(-c2ccc(NC(=O)NC(C)CCCN3CCCCC3)cc2)cn1
InChIInChI=1S/C23H32N4O2/c1-18(7-6-16-27-14-4-3-5-15-27)25-23(28)26-21-11-8-19(9-12-21)20-10-13-22(29-2)24-17-20/h8-13,17-18H,3-7,14-16H2,1-2H3,(H2,25,26,28)
InChIKeyYUNQKAZAGVYGOJ-UHFFFAOYSA-N
XLogP4.53
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea with MolForge

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Related Compounds

1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea
CID 143531591
5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 82847806
6-methoxy-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 95857759
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 71981492
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea
CID 95772217
2-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 61188738
2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
CID 62695460
1-[4-(1-aminoethyl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62993591
1-[4-(4-methylpiperazin-1-yl)butan-2-yl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86796846
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide
CID 45107263
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea?
The IUPAC name of 1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea (CID 143531600) is 1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea.
What is the SMILES notation for 1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea?
The canonical SMILES for 1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea is COc1ccc(-c2ccc(NC(=O)NC(C)CCCN3CCCCC3)cc2)cn1.
What is the InChIKey of 1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea?
The InChIKey is YUNQKAZAGVYGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-18(7-6-16-27-14-4-3-5-15-27)25-23(28)26-21-11-8-19(9-12-21)20-10-13-22(29-2)24-17-20/h8-13,17-18H,3-7,14-16H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea?
1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea has a molecular weight of 396.54 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea is sourced from PubChem (CID 143531600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).