N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide

C16H21FN2O — CID 165436081

IUPACN-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide
SMILESO=C(NCC1CC1)c1cc(F)cc(C2CCNCC2)c1
InChIInChI=1S/C16H21FN2O/c17-15-8-13(12-3-5-18-6-4-12)7-14(9-15)16(20)19-10-11-1-2-11/h7-9,11-12,18H,1-6,10H2,(H,19,20)
InChIKeyCHIYGQHYUZDVPP-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.43
Rot. Bonds4

About N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide

N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide (PubChem CID 165436081) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide
PubChem CID165436081
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC NameN-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide
SMILESO=C(NCC1CC1)c1cc(F)cc(C2CCNCC2)c1
InChIInChI=1S/C16H21FN2O/c17-15-8-13(12-3-5-18-6-4-12)7-14(9-15)16(20)19-10-11-1-2-11/h7-9,11-12,18H,1-6,10H2,(H,19,20)
InChIKeyCHIYGQHYUZDVPP-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide (CID 165436081) is N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide is O=C(NCC1CC1)c1cc(F)cc(C2CCNCC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide?
The InChIKey is CHIYGQHYUZDVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-15-8-13(12-3-5-18-6-4-12)7-14(9-15)16(20)19-10-11-1-2-11/h7-9,11-12,18H,1-6,10H2,(H,19,20).
What are the key properties of N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide?
N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide has a molecular weight of 276.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide is sourced from PubChem (CID 165436081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).