4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide

C19H22FN3O — CID 25289047

IUPAC4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCN(Cc2ccncc2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c20-18-5-3-17(4-6-18)19(24)22-12-16-2-1-11-23(14-16)13-15-7-9-21-10-8-15/h3-10,16H,1-2,11-14H2,(H,22,24)/t16-/m0/s1
InChIKeyKUJCSMNDMFWZFZ-INIZCTEOSA-N
MW327.40 g/mol
LogP2.86
Rot. Bonds5

About 4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide

4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide (PubChem CID 25289047) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
PubChem CID25289047
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCN(Cc2ccncc2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c20-18-5-3-17(4-6-18)19(24)22-12-16-2-1-11-23(14-16)13-15-7-9-21-10-8-15/h3-10,16H,1-2,11-14H2,(H,22,24)/t16-/m0/s1
InChIKeyKUJCSMNDMFWZFZ-INIZCTEOSA-N
XLogP2.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416
4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 56723382
4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 42348231
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271
4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 45234160
4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
CID 42285901
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97314958

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide (CID 25289047) is 4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide is O=C(NC[C@@H]1CCCN(Cc2ccncc2)C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is KUJCSMNDMFWZFZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-18-5-3-17(4-6-18)19(24)22-12-16-2-1-11-23(14-16)13-15-7-9-21-10-8-15/h3-10,16H,1-2,11-14H2,(H,22,24)/t16-/m0/s1.
What are the key properties of 4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide?
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 327.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 25289047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).