[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate

C21H28N4O3 — CID 175453155

IUPAC[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate
SMILESNC(=O)OCC1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1
InChIInChI=1S/C21H28N4O3/c22-21(26)28-15-16-8-10-24(11-9-16)19-6-4-17(5-7-19)18-13-23-25(14-18)20-3-1-2-12-27-20/h4-7,13-14,16,20H,1-3,8-12,15H2,(H2,22,26)
InChIKeyLAHYSCNSYMXVEJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.56
Rot. Bonds5

About [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate

[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate (PubChem CID 175453155) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate.

Molecular Properties

Compound Name[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate
PubChem CID175453155
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate
SMILESNC(=O)OCC1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1
InChIInChI=1S/C21H28N4O3/c22-21(26)28-15-16-8-10-24(11-9-16)19-6-4-17(5-7-19)18-13-23-25(14-18)20-3-1-2-12-27-20/h4-7,13-14,16,20H,1-3,8-12,15H2,(H2,22,26)
InChIKeyLAHYSCNSYMXVEJ-UHFFFAOYSA-N
XLogP3.56
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate?
The IUPAC name of [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate (CID 175453155) is [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate.
What is the SMILES notation for [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate?
The canonical SMILES for [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate is NC(=O)OCC1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1.
What is the InChIKey of [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate?
The InChIKey is LAHYSCNSYMXVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c22-21(26)28-15-16-8-10-24(11-9-16)19-6-4-17(5-7-19)18-13-23-25(14-18)20-3-1-2-12-27-20/h4-7,13-14,16,20H,1-3,8-12,15H2,(H2,22,26).
What are the key properties of [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate?
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate has a molecular weight of 384.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate is sourced from PubChem (CID 175453155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).