N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide

C20H24FN3O2 — CID 45219753

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H24FN3O2/c1-23(20(25)17-9-5-11-22-19(17)26-2)16-8-6-12-24(14-16)13-15-7-3-4-10-18(15)21/h3-5,7,9-11,16H,6,8,12-14H2,1-2H3
InChIKeySVRLUDPSUWZNRG-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.97
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 45219753) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
PubChem CID45219753
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H24FN3O2/c1-23(20(25)17-9-5-11-22-19(17)26-2)16-8-6-12-24(14-16)13-15-7-3-4-10-18(15)21/h3-5,7,9-11,16H,6,8,12-14H2,1-2H3
InChIKeySVRLUDPSUWZNRG-UHFFFAOYSA-N
XLogP2.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459871
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459876
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide
CID 42381909
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 42594380
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 42341590
2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide
CID 95716393
2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
CID 23723336
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 26326522
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 45188775
2-methoxy-N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyridine-3-carboxamide
CID 125014728
2-methoxy-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyridine-3-carboxamide
CID 125014729
1-(2-aminoethyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 95894612

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide (CID 45219753) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide is COc1ncccc1C(=O)N(C)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is SVRLUDPSUWZNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-23(20(25)17-9-5-11-22-19(17)26-2)16-8-6-12-24(14-16)13-15-7-3-4-10-18(15)21/h3-5,7,9-11,16H,6,8,12-14H2,1-2H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 45219753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).