N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide

C19H22FN3O2 — CID 98887099

IUPACN-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide
SMILESO=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cncc(F)c1
InChIInChI=1S/C19H22FN3O2/c20-17-8-16(9-21-10-17)19(25)22-18-12-23(7-6-15(18)13-24)11-14-4-2-1-3-5-14/h1-5,8-10,15,18,24H,6-7,11-13H2,(H,22,25)/t15-,18+/m1/s1
InChIKeyJTALTBMNALZOEH-QAPCUYQASA-N
MW343.40 g/mol
LogP1.83
Rot. Bonds5

About N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide

N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide (PubChem CID 98887099) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide
PubChem CID98887099
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide
SMILESO=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cncc(F)c1
InChIInChI=1S/C19H22FN3O2/c20-17-8-16(9-21-10-17)19(25)22-18-12-23(7-6-15(18)13-24)11-14-4-2-1-3-5-14/h1-5,8-10,15,18,24H,6-7,11-13H2,(H,22,25)/t15-,18+/m1/s1
InChIKeyJTALTBMNALZOEH-QAPCUYQASA-N
XLogP1.83
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide (CID 98887099) is N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide is O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cncc(F)c1.
What is the InChIKey of N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide?
The InChIKey is JTALTBMNALZOEH-QAPCUYQASA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-17-8-16(9-21-10-17)19(25)22-18-12-23(7-6-15(18)13-24)11-14-4-2-1-3-5-14/h1-5,8-10,15,18,24H,6-7,11-13H2,(H,22,25)/t15-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide?
N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 98887099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).