[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone

C19H27N3O2 — CID 1222984

IUPAC[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)N2CCCC[C@@H]2C)nc1
InChIInChI=1S/C19H27N3O2/c1-14-7-3-5-11-21(14)18(23)16-9-10-17(20-13-16)19(24)22-12-6-4-8-15(22)2/h9-10,13-15H,3-8,11-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyUJYINBNHKABREO-CABCVRRESA-N
MW329.44 g/mol
LogP3.11
Rot. Bonds2

About [6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone

[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 1222984) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID1222984
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)N2CCCC[C@@H]2C)nc1
InChIInChI=1S/C19H27N3O2/c1-14-7-3-5-11-21(14)18(23)16-9-10-17(20-13-16)19(24)22-12-6-4-8-15(22)2/h9-10,13-15H,3-8,11-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyUJYINBNHKABREO-CABCVRRESA-N
XLogP3.11
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide
CID 77005324
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
(5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 104642325
(6-amino-3-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62151940
[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone
CID 104641464
5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119113859
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
[6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 23725274
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487

Frequently Asked Questions

What is the IUPAC name of [6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 1222984) is [6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone is C[C@@H]1CCCCN1C(=O)c1ccc(C(=O)N2CCCC[C@@H]2C)nc1.
What is the InChIKey of [6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is UJYINBNHKABREO-CABCVRRESA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-7-3-5-11-21(14)18(23)16-9-10-17(20-13-16)19(24)22-12-6-4-8-15(22)2/h9-10,13-15H,3-8,11-12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of [6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 329.44 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 1222984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).