(3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide

C22H30N4O2 — CID 126427006

IUPAC(3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)N1CCC[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C22H30N4O2/c1-25(2)15-19-9-4-3-8-18(19)14-24-22(27)26-13-7-11-21(16-26)28-17-20-10-5-6-12-23-20/h3-6,8-10,12,21H,7,11,13-17H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyPLIOVWJKUCLIFX-OAQYLSRUSA-N
MW382.51 g/mol
LogP3.03
Rot. Bonds7

About (3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide

(3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide (PubChem CID 126427006) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
PubChem CID126427006
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name(3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)N1CCC[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C22H30N4O2/c1-25(2)15-19-9-4-3-8-18(19)14-24-22(27)26-13-7-11-21(16-26)28-17-20-10-5-6-12-23-20/h3-6,8-10,12,21H,7,11,13-17H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyPLIOVWJKUCLIFX-OAQYLSRUSA-N
XLogP3.03
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 126453895
N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 122559189
2-[(2-fluorophenyl)methyl-methylamino]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 91786226
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 122566518
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97134776
(3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 125170232
N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 50954287
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 131939331
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91770782

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide (CID 126427006) is (3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide is CN(C)Cc1ccccc1CNC(=O)N1CCC[C@@H](OCc2ccccn2)C1.
What is the InChIKey of (3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The InChIKey is PLIOVWJKUCLIFX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-25(2)15-19-9-4-3-8-18(19)14-24-22(27)26-13-7-11-21(16-26)28-17-20-10-5-6-12-23-20/h3-6,8-10,12,21H,7,11,13-17H2,1-2H3,(H,24,27)/t21-/m1/s1.
What are the key properties of (3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
(3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 126427006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).