[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone

C19H30N4O — CID 92606124

IUPAC[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
SMILESCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C19H30N4O/c1-21(2)15-17-9-4-6-13-23(17)19(24)16-8-7-12-22(14-16)18-10-3-5-11-20-18/h3,5,10-11,16-17H,4,6-9,12-15H2,1-2H3/t16-,17+/m0/s1
InChIKeyDVNGPQFPROGEMY-DLBZAZTESA-N
MW330.48 g/mol
LogP2.24
Rot. Bonds4

About [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone

[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone (PubChem CID 92606124) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
PubChem CID92606124
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
SMILESCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C19H30N4O/c1-21(2)15-17-9-4-6-13-23(17)19(24)16-8-7-12-22(14-16)18-10-3-5-11-20-18/h3,5,10-11,16-17H,4,6-9,12-15H2,1-2H3/t16-,17+/m0/s1
InChIKeyDVNGPQFPROGEMY-DLBZAZTESA-N
XLogP2.24
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone with MolForge

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Related Compounds

[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 98761419
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95583542
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95337233
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682493
[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95149695
(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanone
CID 47884292
(1-pyrazin-2-ylpiperidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819028
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 51595974

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone (CID 92606124) is [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone is CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone?
The InChIKey is DVNGPQFPROGEMY-DLBZAZTESA-N. The full InChI is InChI=1S/C19H30N4O/c1-21(2)15-17-9-4-6-13-23(17)19(24)16-8-7-12-22(14-16)18-10-3-5-11-20-18/h3,5,10-11,16-17H,4,6-9,12-15H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone?
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone has a molecular weight of 330.48 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 92606124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).