[(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate

C19H34N4O2 — CID 164637118

IUPAC[(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate
SMILESCCCNC(=O)OC[C@H]1CCCCN1Cc1c(CC)nn(C)c1CC
InChIInChI=1S/C19H34N4O2/c1-5-11-20-19(24)25-14-15-10-8-9-12-23(15)13-16-17(6-2)21-22(4)18(16)7-3/h15H,5-14H2,1-4H3,(H,20,24)/t15-/m1/s1
InChIKeyGBMYSJGOUDNFSJ-OAHLLOKOSA-N
MW350.51 g/mol
LogP3.04
Rot. Bonds8

About [(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate

[(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate (PubChem CID 164637118) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is [(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate.

Molecular Properties

Compound Name[(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate
PubChem CID164637118
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name[(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate
SMILESCCCNC(=O)OC[C@H]1CCCCN1Cc1c(CC)nn(C)c1CC
InChIInChI=1S/C19H34N4O2/c1-5-11-20-19(24)25-14-15-10-8-9-12-23(15)13-16-17(6-2)21-22(4)18(16)7-3/h15H,5-14H2,1-4H3,(H,20,24)/t15-/m1/s1
InChIKeyGBMYSJGOUDNFSJ-OAHLLOKOSA-N
XLogP3.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-{4-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3-morpholinyl}acetamide
CID 56898587
[(2R)-2-amino-1-[4-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazol-1-yl]propyl] 2,2,2-trifluoroacetate
CID 69774057
Tert-butyl 3-[2-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethylamino]propyl]morpholine-4-carboxylate
CID 75458693
tert-butyl (3R)-3-[(2S)-2-[[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]amino]propyl]morpholine-4-carboxylate
CID 97309921
tert-butyl (3R)-3-[(2R)-2-[[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]amino]propyl]morpholine-4-carboxylate
CID 97309923
tert-butyl (3S)-3-[(2S)-2-[[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]amino]propyl]morpholine-4-carboxylate
CID 100909687
tert-butyl (3S)-3-[(2R)-2-[[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]amino]propyl]morpholine-4-carboxylate
CID 100909688
Ethyl 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 53591699
Tert-butyl (1r)-2-(4-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-3,5-dimethyl-1h-pyrazol-1-yl)-1-methylethylcarbamate
CID 60011513
Tert-butyl (1r)-2-[3,5-dimethyl-4-(4-piperidinylmethyl)-1h-pyrazol-1-yl]-1-methylethylcarbamate
CID 60011570
[(2R)-1-[4-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazol-1-yl]propan-2-yl]carbamic acid
CID 69773980
[(2R)-1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamic acid
CID 69774562

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate?
The IUPAC name of [(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate (CID 164637118) is [(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate.
What is the SMILES notation for [(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate?
The canonical SMILES for [(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate is CCCNC(=O)OC[C@H]1CCCCN1Cc1c(CC)nn(C)c1CC.
What is the InChIKey of [(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate?
The InChIKey is GBMYSJGOUDNFSJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-5-11-20-19(24)25-14-15-10-8-9-12-23(15)13-16-17(6-2)21-22(4)18(16)7-3/h15H,5-14H2,1-4H3,(H,20,24)/t15-/m1/s1.
What are the key properties of [(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate?
[(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate has a molecular weight of 350.51 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate is sourced from PubChem (CID 164637118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).