1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide

C20H29FN4O2 — CID 119556343

IUPAC1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCCC1CCCNC1)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C20H29FN4O2/c21-17-7-1-2-8-18(17)24-20(27)25-12-4-6-16(14-25)19(26)23-11-9-15-5-3-10-22-13-15/h1-2,7-8,15-16,22H,3-6,9-14H2,(H,23,26)(H,24,27)
InChIKeyMXGJIWMEJQBWDU-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.58
Rot. Bonds5

About 1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide

1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide (PubChem CID 119556343) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide
PubChem CID119556343
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC Name1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCCC1CCCNC1)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C20H29FN4O2/c21-17-7-1-2-8-18(17)24-20(27)25-12-4-6-16(14-25)19(26)23-11-9-15-5-3-10-22-13-15/h1-2,7-8,15-16,22H,3-6,9-14H2,(H,23,26)(H,24,27)
InChIKeyMXGJIWMEJQBWDU-UHFFFAOYSA-N
XLogP2.58
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid
CID 119350889
1-(2-fluorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 60895338
1-acetyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119555744
1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119558659
1-(3,5-dimethylbenzoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119555717
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119557408
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
4-[[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353294
1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119533899
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119537419
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide (CID 119556343) is 1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide is O=C(NCCC1CCCNC1)C1CCCN(C(=O)Nc2ccccc2F)C1.
What is the InChIKey of 1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide?
The InChIKey is MXGJIWMEJQBWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2/c21-17-7-1-2-8-18(17)24-20(27)25-12-4-6-16(14-25)19(26)23-11-9-15-5-3-10-22-13-15/h1-2,7-8,15-16,22H,3-6,9-14H2,(H,23,26)(H,24,27).
What are the key properties of 1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide?
1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 119556343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).