1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen

C22H33FN4O2 — CID 176713149

IUPAC1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen
SMILESCNC(=O)N1CCCCC1.O=C(NCc1ccc2ccccc2c1F)NC1CC1.[H][H].[H][H]
InChIInChI=1S/C15H15FN2O.C7H14N2O.2H2/c16-14-11(9-17-15(19)18-12-7-8-12)6-5-10-3-1-2-4-13(10)14;1-8-7(10)9-5-3-2-4-6-9;;/h1-6,12H,7-9H2,(H2,17,18,19);2-6H2,1H3,(H,8,10);2*1H
InChIKeyOTAMUFHGGVVPMR-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.24
Rot. Bonds3

About 1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen

1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen (PubChem CID 176713149) has the molecular formula C22H33FN4O2 and a molecular weight of 404.53 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen
PubChem CID176713149
Molecular FormulaC22H33FN4O2
Molecular Weight404.53 g/mol
Exact Mass404.26
IUPAC Name1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen
SMILESCNC(=O)N1CCCCC1.O=C(NCc1ccc2ccccc2c1F)NC1CC1.[H][H].[H][H]
InChIInChI=1S/C15H15FN2O.C7H14N2O.2H2/c16-14-11(9-17-15(19)18-12-7-8-12)6-5-10-3-1-2-4-13(10)14;1-8-7(10)9-5-3-2-4-6-9;;/h1-6,12H,7-9H2,(H2,17,18,19);2-6H2,1H3,(H,8,10);2*1H
InChIKeyOTAMUFHGGVVPMR-UHFFFAOYSA-N
XLogP4.24
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
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1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
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CID 170731606
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1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea
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N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
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(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen (CID 176713149) is 1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen is CNC(=O)N1CCCCC1.O=C(NCc1ccc2ccccc2c1F)NC1CC1.[H][H].[H][H].
What is the InChIKey of 1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen?
The InChIKey is OTAMUFHGGVVPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O.C7H14N2O.2H2/c16-14-11(9-17-15(19)18-12-7-8-12)6-5-10-3-1-2-4-13(10)14;1-8-7(10)9-5-3-2-4-6-9;;/h1-6,12H,7-9H2,(H2,17,18,19);2-6H2,1H3,(H,8,10);2*1H.
What are the key properties of 1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen?
1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen has a molecular weight of 404.53 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-fluoronaphthalen-2-yl)methyl]urea;N-methylpiperidine-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 176713149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).