(3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide

C16H22FN3O2 — CID 97215987

IUPAC(3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccncc2F)C1
InChIInChI=1S/C16H22FN3O2/c1-11(2)19(3)15(21)12-5-4-8-20(10-12)16(22)13-6-7-18-9-14(13)17/h6-7,9,11-12H,4-5,8,10H2,1-3H3/t12-/m0/s1
InChIKeyBPLPJOXXLSEPNO-LBPRGKRZSA-N
MW307.37 g/mol
LogP1.94
Rot. Bonds3

About (3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide

(3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 97215987) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is (3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID97215987
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name(3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccncc2F)C1
InChIInChI=1S/C16H22FN3O2/c1-11(2)19(3)15(21)12-5-4-8-20(10-12)16(22)13-6-7-18-9-14(13)17/h6-7,9,11-12H,4-5,8,10H2,1-3H3/t12-/m0/s1
InChIKeyBPLPJOXXLSEPNO-LBPRGKRZSA-N
XLogP1.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 115646226
(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124511893
[3-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64955803
3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
CID 90650048
[3-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 80660398
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120727383
[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 115661606
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267132
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide (CID 97215987) is (3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide is CC(C)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccncc2F)C1.
What is the InChIKey of (3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is BPLPJOXXLSEPNO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-11(2)19(3)15(21)12-5-4-8-20(10-12)16(22)13-6-7-18-9-14(13)17/h6-7,9,11-12H,4-5,8,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide?
(3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 97215987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).