[4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C21H28N4O2 — CID 91916218

IUPAC[4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC(N(Cc2ccccc2)C2CCOCC2)CC1
InChIInChI=1S/C21H28N4O2/c26-21(20-6-11-22-23-20)24-12-7-18(8-13-24)25(19-9-14-27-15-10-19)16-17-4-2-1-3-5-17/h1-6,11,18-19H,7-10,12-16H2,(H,22,23)
InChIKeyDJZLHFAQEYFKPZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.70
Rot. Bonds5

About [4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 91916218) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID91916218
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC(N(Cc2ccccc2)C2CCOCC2)CC1
InChIInChI=1S/C21H28N4O2/c26-21(20-6-11-22-23-20)24-12-7-18(8-13-24)25(19-9-14-27-15-10-19)16-17-4-2-1-3-5-17/h1-6,11,18-19H,7-10,12-16H2,(H,22,23)
InChIKeyDJZLHFAQEYFKPZ-UHFFFAOYSA-N
XLogP2.70
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 91916218) is [4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCC(N(Cc2ccccc2)C2CCOCC2)CC1.
What is the InChIKey of [4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is DJZLHFAQEYFKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-21(20-6-11-22-23-20)24-12-7-18(8-13-24)25(19-9-14-27-15-10-19)16-17-4-2-1-3-5-17/h1-6,11,18-19H,7-10,12-16H2,(H,22,23).
What are the key properties of [4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 368.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 91916218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).