2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide

C16H22FN3O — CID 79703797

IUPAC2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1N(CC1CCNCC1)C1CC1
InChIInChI=1S/C16H22FN3O/c17-12-1-4-15(14(9-12)16(18)21)20(13-2-3-13)10-11-5-7-19-8-6-11/h1,4,9,11,13,19H,2-3,5-8,10H2,(H2,18,21)
InChIKeyOHDFXENDJWTCMN-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.89
Rot. Bonds5

About 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide

2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide (PubChem CID 79703797) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide
PubChem CID79703797
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1N(CC1CCNCC1)C1CC1
InChIInChI=1S/C16H22FN3O/c17-12-1-4-15(14(9-12)16(18)21)20(13-2-3-13)10-11-5-7-19-8-6-11/h1,4,9,11,13,19H,2-3,5-8,10H2,(H2,18,21)
InChIKeyOHDFXENDJWTCMN-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide
CID 79704767
5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide
CID 114894118
ethyl 2-(2-carbamothioyl-N-cyclopropyl-4-fluoroanilino)acetate
CID 63672880
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide
CID 106643830
1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol
CID 64520190
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-fluorobenzoic acid
CID 55010433
5-chloro-2-[cyclopropyl(cyclopropylmethyl)amino]benzenecarbothioamide
CID 64521354
2-[cyclopropyl(cyclopropylmethyl)amino]-5-methylbenzenecarbothioamide
CID 107929043
2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid
CID 43313053
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide
CID 60799815
2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzenecarbothioamide
CID 63674892

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide?
The IUPAC name of 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide (CID 79703797) is 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide.
What is the SMILES notation for 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide?
The canonical SMILES for 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide is NC(=O)c1cc(F)ccc1N(CC1CCNCC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide?
The InChIKey is OHDFXENDJWTCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-12-1-4-15(14(9-12)16(18)21)20(13-2-3-13)10-11-5-7-19-8-6-11/h1,4,9,11,13,19H,2-3,5-8,10H2,(H2,18,21).
What are the key properties of 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide?
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide has a molecular weight of 291.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide is sourced from PubChem (CID 79703797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).