2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide

C16H23FN2O — CID 106628436

IUPAC2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCNC1)C(=O)c1ccccc1F
InChIInChI=1S/C16H23FN2O/c1-2-10-19(12-13-6-5-9-18-11-13)16(20)14-7-3-4-8-15(14)17/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3
InChIKeyUDHPUTSQIBOINY-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.68
Rot. Bonds5

About 2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide

2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide (PubChem CID 106628436) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
PubChem CID106628436
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCNC1)C(=O)c1ccccc1F
InChIInChI=1S/C16H23FN2O/c1-2-10-19(12-13-6-5-9-18-11-13)16(20)14-7-3-4-8-15(14)17/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3
InChIKeyUDHPUTSQIBOINY-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169
4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107016147
4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107990973
2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629488
6-methyl-N-(piperidin-3-ylmethyl)-N-propylpyridine-2-carboxamide
CID 106628314
3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide
CID 106628072
5-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106628225
2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide
CID 107963808
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953
N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide
CID 106628118
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
N-(2-fluorophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 142030462

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
The IUPAC name of 2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide (CID 106628436) is 2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide is CCCN(CC1CCCNC1)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
The InChIKey is UDHPUTSQIBOINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-10-19(12-13-6-5-9-18-11-13)16(20)14-7-3-4-8-15(14)17/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3.
What are the key properties of 2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide has a molecular weight of 278.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 106628436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).