N,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide

C24H32N4O3 — CID 124940226

IUPACN,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide
SMILESCc1cccc(N2CCC[C@H](N(C)C(=O)C(C)(C)NC(=O)COc3ccccc3)C2)n1
InChIInChI=1S/C24H32N4O3/c1-18-10-8-14-21(25-18)28-15-9-11-19(16-28)27(4)23(30)24(2,3)26-22(29)17-31-20-12-6-5-7-13-20/h5-8,10,12-14,19H,9,11,15-17H2,1-4H3,(H,26,29)/t19-/m0/s1
InChIKeyAEVRHYDJLMKPEN-IBGZPJMESA-N
MW424.55 g/mol
LogP2.79
Rot. Bonds7

About N,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide

N,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide (PubChem CID 124940226) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide
PubChem CID124940226
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide
SMILESCc1cccc(N2CCC[C@H](N(C)C(=O)C(C)(C)NC(=O)COc3ccccc3)C2)n1
InChIInChI=1S/C24H32N4O3/c1-18-10-8-14-21(25-18)28-15-9-11-19(16-28)27(4)23(30)24(2,3)26-22(29)17-31-20-12-6-5-7-13-20/h5-8,10,12-14,19H,9,11,15-17H2,1-4H3,(H,26,29)/t19-/m0/s1
InChIKeyAEVRHYDJLMKPEN-IBGZPJMESA-N
XLogP2.79
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3,5-trimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 125003122
N-methyl-2-(2-methylimidazol-1-yl)-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124982829
N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 124981919
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
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191
3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide
CID 124947513
N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide
CID 124974868
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate
CID 132508976
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide?
The IUPAC name of N,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide (CID 124940226) is N,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide?
The canonical SMILES for N,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide is Cc1cccc(N2CCC[C@H](N(C)C(=O)C(C)(C)NC(=O)COc3ccccc3)C2)n1.
What is the InChIKey of N,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide?
The InChIKey is AEVRHYDJLMKPEN-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N4O3/c1-18-10-8-14-21(25-18)28-15-9-11-19(16-28)27(4)23(30)24(2,3)26-22(29)17-31-20-12-6-5-7-13-20/h5-8,10,12-14,19H,9,11,15-17H2,1-4H3,(H,26,29)/t19-/m0/s1.
What are the key properties of N,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide?
N,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide has a molecular weight of 424.55 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide is sourced from PubChem (CID 124940226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).