N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide

C19H22FN3O2 — CID 126448618

IUPACN-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H22FN3O2/c1-25-17-8-9-21-18(11-17)19(24)22-16-3-2-10-23(13-16)12-14-4-6-15(20)7-5-14/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyFFROXQUBTXUKDD-INIZCTEOSA-N
MW343.40 g/mol
LogP2.62
Rot. Bonds5

About N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide

N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide (PubChem CID 126448618) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide
PubChem CID126448618
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H22FN3O2/c1-25-17-8-9-21-18(11-17)19(24)22-16-3-2-10-23(13-16)12-14-4-6-15(20)7-5-14/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyFFROXQUBTXUKDD-INIZCTEOSA-N
XLogP2.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134802563
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 45210664
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56902955
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43920049
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55644626

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide (CID 126448618) is N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide is COc1ccnc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide?
The InChIKey is FFROXQUBTXUKDD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-17-8-9-21-18(11-17)19(24)22-16-3-2-10-23(13-16)12-14-4-6-15(20)7-5-14/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide?
N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 126448618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).