1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide

C22H33FN4O2 — CID 86967402

IUPAC1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCN(C(=O)NC2CCCN(c3cc(C)ccc3F)C2)CC1
InChIInChI=1S/C22H33FN4O2/c1-3-10-24-21(28)17-8-12-26(13-9-17)22(29)25-18-5-4-11-27(15-18)20-14-16(2)6-7-19(20)23/h6-7,14,17-18H,3-5,8-13,15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyDCHWOLJRYAKONY-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.05
Rot. Bonds5

About 1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide

1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide (PubChem CID 86967402) has the molecular formula C22H33FN4O2 and a molecular weight of 404.53 g/mol. Its IUPAC name is 1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide
PubChem CID86967402
Molecular FormulaC22H33FN4O2
Molecular Weight404.53 g/mol
Exact Mass404.26
IUPAC Name1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCN(C(=O)NC2CCCN(c3cc(C)ccc3F)C2)CC1
InChIInChI=1S/C22H33FN4O2/c1-3-10-24-21(28)17-8-12-26(13-9-17)22(29)25-18-5-4-11-27(15-18)20-14-16(2)6-7-19(20)23/h6-7,14,17-18H,3-5,8-13,15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyDCHWOLJRYAKONY-UHFFFAOYSA-N
XLogP3.05
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 86967421
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 86965307
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 86965317
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 86967389
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86966897
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 86967320

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide (CID 86967402) is 1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide is CCCNC(=O)C1CCN(C(=O)NC2CCCN(c3cc(C)ccc3F)C2)CC1.
What is the InChIKey of 1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide?
The InChIKey is DCHWOLJRYAKONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O2/c1-3-10-24-21(28)17-8-12-26(13-9-17)22(29)25-18-5-4-11-27(15-18)20-14-16(2)6-7-19(20)23/h6-7,14,17-18H,3-5,8-13,15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide?
1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide has a molecular weight of 404.53 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 86967402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).