N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide

C22H33N5O2 — CID 126799159

IUPACN-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide
SMILESCc1cc(C2CCCN(C(=O)NCc3ccncc3OCCC(C)(C)C)C2)n[nH]1
InChIInChI=1S/C22H33N5O2/c1-16-12-19(26-25-16)18-6-5-10-27(15-18)21(28)24-13-17-7-9-23-14-20(17)29-11-8-22(2,3)4/h7,9,12,14,18H,5-6,8,10-11,13,15H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyREIOHPDXARGAJB-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.02
Rot. Bonds6

About N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide

N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 126799159) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide
PubChem CID126799159
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC NameN-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide
SMILESCc1cc(C2CCCN(C(=O)NCc3ccncc3OCCC(C)(C)C)C2)n[nH]1
InChIInChI=1S/C22H33N5O2/c1-16-12-19(26-25-16)18-6-5-10-27(15-18)21(28)24-13-17-7-9-23-14-20(17)29-11-8-22(2,3)4/h7,9,12,14,18H,5-6,8,10-11,13,15H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyREIOHPDXARGAJB-UHFFFAOYSA-N
XLogP4.02
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126440384
2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97004509
1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 96514407
1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 97004347
2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514522
(3,5-dimethoxy-4-methylphenyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514461
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514421
(1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926857
N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
CID 166183459
4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid
CID 71926934
(2-methoxy-3-pyridinyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514391
[4-(1H-imidazol-5-yl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 146137351

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide (CID 126799159) is N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide is Cc1cc(C2CCCN(C(=O)NCc3ccncc3OCCC(C)(C)C)C2)n[nH]1.
What is the InChIKey of N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is REIOHPDXARGAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-16-12-19(26-25-16)18-6-5-10-27(15-18)21(28)24-13-17-7-9-23-14-20(17)29-11-8-22(2,3)4/h7,9,12,14,18H,5-6,8,10-11,13,15H2,1-4H3,(H,24,28)(H,25,26).
What are the key properties of N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126799159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).