N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide

C19H32N4O2 — CID 72938884

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCC(C)(C)c1cc(CNC(=O)C2CCCN(C3CCOCC3)C2)[nH]n1
InChIInChI=1S/C19H32N4O2/c1-19(2,3)17-11-15(21-22-17)12-20-18(24)14-5-4-8-23(13-14)16-6-9-25-10-7-16/h11,14,16H,4-10,12-13H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyVOVPJWVTFKJYEA-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.21
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 72938884) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID72938884
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCC(C)(C)c1cc(CNC(=O)C2CCCN(C3CCOCC3)C2)[nH]n1
InChIInChI=1S/C19H32N4O2/c1-19(2,3)17-11-15(21-22-17)12-20-18(24)14-5-4-8-23(13-14)16-6-9-25-10-7-16/h11,14,16H,4-10,12-13H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyVOVPJWVTFKJYEA-UHFFFAOYSA-N
XLogP2.21
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide (CID 72938884) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide is CC(C)(C)c1cc(CNC(=O)C2CCCN(C3CCOCC3)C2)[nH]n1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is VOVPJWVTFKJYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-19(2,3)17-11-15(21-22-17)12-20-18(24)14-5-4-8-23(13-14)16-6-9-25-10-7-16/h11,14,16H,4-10,12-13H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 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-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 72938884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).