1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea

C18H29N5O — CID 86803583

IUPAC1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C3CCN(C)CC3)CC2)cn1
InChIInChI=1S/C18H29N5O/c1-14-3-4-16(13-19-14)21-18(24)20-15-5-11-23(12-6-15)17-7-9-22(2)10-8-17/h3-4,13,15,17H,5-12H2,1-2H3,(H2,20,21,24)
InChIKeyRBHONRKADJECRF-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.07
Rot. Bonds3

About 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea

1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 86803583) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID86803583
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C3CCN(C)CC3)CC2)cn1
InChIInChI=1S/C18H29N5O/c1-14-3-4-16(13-19-14)21-18(24)20-15-5-11-23(12-6-15)17-7-9-22(2)10-8-17/h3-4,13,15,17H,5-12H2,1-2H3,(H2,20,21,24)
InChIKeyRBHONRKADJECRF-UHFFFAOYSA-N
XLogP2.07
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea with MolForge

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Related Compounds

1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 99581606
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 49470876
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432
1-cyclopropyl-3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]urea
CID 113010170
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 56824217
1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide
CID 119890827

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea (CID 86803583) is 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea is Cc1ccc(NC(=O)NC2CCN(C3CCN(C)CC3)CC2)cn1.
What is the InChIKey of 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is RBHONRKADJECRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-14-3-4-16(13-19-14)21-18(24)20-15-5-11-23(12-6-15)17-7-9-22(2)10-8-17/h3-4,13,15,17H,5-12H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea?
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 331.46 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 86803583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).