[(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate

C18H32N4O2 — CID 164639601

IUPAC[(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate
SMILESCCCNC(=O)OC[C@H]1CCCCN1Cc1cn(C(C)C)nc1C
InChIInChI=1S/C18H32N4O2/c1-5-9-19-18(23)24-13-17-8-6-7-10-21(17)11-16-12-22(14(2)3)20-15(16)4/h12,14,17H,5-11,13H2,1-4H3,(H,19,23)/t17-/m1/s1
InChIKeyJBAJTNUZADMPNG-QGZVFWFLSA-N
MW336.48 g/mol
LogP3.26
Rot. Bonds7

About [(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate

[(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate (PubChem CID 164639601) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is [(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate.

Molecular Properties

Compound Name[(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate
PubChem CID164639601
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name[(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate
SMILESCCCNC(=O)OC[C@H]1CCCCN1Cc1cn(C(C)C)nc1C
InChIInChI=1S/C18H32N4O2/c1-5-9-19-18(23)24-13-17-8-6-7-10-21(17)11-16-12-22(14(2)3)20-15(16)4/h12,14,17H,5-11,13H2,1-4H3,(H,19,23)/t17-/m1/s1
InChIKeyJBAJTNUZADMPNG-QGZVFWFLSA-N
XLogP3.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate with MolForge

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Related Compounds

N-({(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methyl)-2-methoxyacetamide
CID 91920969
N-{[(3S4R)-3-(Dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-YL)methyl]piperidin-4-YL]methyl}-2-methoxyacetamide
CID 91920970
3-[1-(1,3-Dimethylpyrazol-4-yl)ethyl]-1-(oxan-2-ylmethyl)-1-propylurea
CID 72021345
3-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72847360
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-morpholin-4-ylpentanamide
CID 126840374
[1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]piperidin-2-yl]methyl N-propylcarbamate
CID 132356770
N-(2-methoxyethyl)-3-{1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 42394046
tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate
CID 124017693
N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide
CID 129210554
tert-butyl N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamate;ethane
CID 144708900
ethane;2-methoxy-2-methylpropane;N-[2-[methyl-[[3-methyl-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]formamide
CID 144721893
4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine
CID 145134343

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate?
The IUPAC name of [(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate (CID 164639601) is [(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate.
What is the SMILES notation for [(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate?
The canonical SMILES for [(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate is CCCNC(=O)OC[C@H]1CCCCN1Cc1cn(C(C)C)nc1C.
What is the InChIKey of [(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate?
The InChIKey is JBAJTNUZADMPNG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-5-9-19-18(23)24-13-17-8-6-7-10-21(17)11-16-12-22(14(2)3)20-15(16)4/h12,14,17H,5-11,13H2,1-4H3,(H,19,23)/t17-/m1/s1.
What are the key properties of [(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate?
[(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate has a molecular weight of 336.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate is sourced from PubChem (CID 164639601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).