N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide

C18H30N4O3 — CID 50968952

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)C1
InChIInChI=1S/C18H30N4O3/c1-18(2,3)15-9-14(19-20-15)11-21(4)17(24)13-7-6-8-22(10-13)16(23)12-25-5/h9,13H,6-8,10-12H2,1-5H3,(H,19,20)
InChIKeyOJXZWQDVTNOMNS-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.55
Rot. Bonds5

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide (PubChem CID 50968952) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide
PubChem CID50968952
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)C1
InChIInChI=1S/C18H30N4O3/c1-18(2,3)15-9-14(19-20-15)11-21(4)17(24)13-7-6-8-22(10-13)16(23)12-25-5/h9,13H,6-8,10-12H2,1-5H3,(H,19,20)
InChIKeyOJXZWQDVTNOMNS-UHFFFAOYSA-N
XLogP1.55
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 45236786
3-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 72001651
8-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70770274
7-(2-methoxyethyl)-2-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45226429
(5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 71936547
1-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-4-(2-methoxyethyl)piperazine
CID 77097114
(2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide
CID 126440083
4-(3-{1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-3-piperidinyl}propanoyl)morpholine
CID 45211316
N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 129003284
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 118784124
(5S)-7,7-difluoro-2-(2-methoxyethyl)-9-[(5-methyl-1H-pyrazol-3-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 129540568
(5R)-7,7-difluoro-2-(2-methoxyethyl)-9-[(5-methyl-1H-pyrazol-3-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 129540569

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide (CID 50968952) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide is COCC(=O)N1CCCC(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)C1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is OJXZWQDVTNOMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-18(2,3)15-9-14(19-20-15)11-21(4)17(24)13-7-6-8-22(10-13)16(23)12-25-5/h9,13H,6-8,10-12H2,1-5H3,(H,19,20).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 50968952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).