2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide

C16H21FN2O2 — CID 136569056

IUPAC2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1N1CCC(OCC2CC2)CC1
InChIInChI=1S/C16H21FN2O2/c17-13-2-1-3-14(15(13)16(18)20)19-8-6-12(7-9-19)21-10-11-4-5-11/h1-3,11-12H,4-10H2,(H2,18,20)
InChIKeyVMQWLUBOQJWOPQ-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.32
Rot. Bonds5

About 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide

2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide (PubChem CID 136569056) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide
PubChem CID136569056
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1N1CCC(OCC2CC2)CC1
InChIInChI=1S/C16H21FN2O2/c17-13-2-1-3-14(15(13)16(18)20)19-8-6-12(7-9-19)21-10-11-4-5-11/h1-3,11-12H,4-10H2,(H2,18,20)
InChIKeyVMQWLUBOQJWOPQ-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 121197502
2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide
CID 79522708
2-[1-(3-bromo-2-carbamoylphenyl)piperidin-4-yl]oxyacetic acid
CID 114880178
2-[1-(2-carbamothioyl-3-fluorophenyl)piperidin-4-yl]acetamide
CID 79512494
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide
CID 114961745
2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 79515615
2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol
CID 82695538
1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone
CID 133278302
2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-6-fluorobenzamide
CID 154846472
1-(2-carbamoyl-3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 79513371
2-fluoro-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]benzonitrile
CID 133453215
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide?
The IUPAC name of 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide (CID 136569056) is 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide?
The canonical SMILES for 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide is NC(=O)c1c(F)cccc1N1CCC(OCC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide?
The InChIKey is VMQWLUBOQJWOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-13-2-1-3-14(15(13)16(18)20)19-8-6-12(7-9-19)21-10-11-4-5-11/h1-3,11-12H,4-10H2,(H2,18,20).
What are the key properties of 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide?
2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide has a molecular weight of 292.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-fluorobenzamide is sourced from PubChem (CID 136569056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).