4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide

C16H22FN3O — CID 115307520

IUPAC4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(N2CCC(NCC3CC3)CC2)c(F)c1
InChIInChI=1S/C16H22FN3O/c17-14-9-12(16(18)21)3-4-15(14)20-7-5-13(6-8-20)19-10-11-1-2-11/h3-4,9,11,13,19H,1-2,5-8,10H2,(H2,18,21)
InChIKeySDSFPAWCZLOMSM-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.89
Rot. Bonds5

About 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide

4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide (PubChem CID 115307520) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide
PubChem CID115307520
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(N2CCC(NCC3CC3)CC2)c(F)c1
InChIInChI=1S/C16H22FN3O/c17-14-9-12(16(18)21)3-4-15(14)20-7-5-13(6-8-20)19-10-11-1-2-11/h3-4,9,11,13,19H,1-2,5-8,10H2,(H2,18,21)
InChIKeySDSFPAWCZLOMSM-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide?
The IUPAC name of 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide (CID 115307520) is 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide.
What is the SMILES notation for 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide?
The canonical SMILES for 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide is NC(=O)c1ccc(N2CCC(NCC3CC3)CC2)c(F)c1.
What is the InChIKey of 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide?
The InChIKey is SDSFPAWCZLOMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-14-9-12(16(18)21)3-4-15(14)20-7-5-13(6-8-20)19-10-11-1-2-11/h3-4,9,11,13,19H,1-2,5-8,10H2,(H2,18,21).
What are the key properties of 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide?
4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-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 4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide is sourced from PubChem (CID 115307520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).