6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one

C19H30N4O2 — CID 164535728

IUPAC6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one
SMILESCC(C)N1CCC(Nc2ccc(NC3CCC(O)NC3=O)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-13(2)23-11-9-16(10-12-23)20-14-3-5-15(6-4-14)21-17-7-8-18(24)22-19(17)25/h3-6,13,16-18,20-21,24H,7-12H2,1-2H3,(H,22,25)
InChIKeyOADJKMNLGATSJN-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.98
Rot. Bonds5

About 6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one

6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one (PubChem CID 164535728) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one.

Molecular Properties

Compound Name6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one
PubChem CID164535728
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one
SMILESCC(C)N1CCC(Nc2ccc(NC3CCC(O)NC3=O)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-13(2)23-11-9-16(10-12-23)20-14-3-5-15(6-4-14)21-17-7-8-18(24)22-19(17)25/h3-6,13,16-18,20-21,24H,7-12H2,1-2H3,(H,22,25)
InChIKeyOADJKMNLGATSJN-UHFFFAOYSA-N
XLogP1.98
TPSA76.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one?
The IUPAC name of 6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one (CID 164535728) is 6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one.
What is the SMILES notation for 6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one?
The canonical SMILES for 6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one is CC(C)N1CCC(Nc2ccc(NC3CCC(O)NC3=O)cc2)CC1.
What is the InChIKey of 6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one?
The InChIKey is OADJKMNLGATSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)23-11-9-16(10-12-23)20-14-3-5-15(6-4-14)21-17-7-8-18(24)22-19(17)25/h3-6,13,16-18,20-21,24H,7-12H2,1-2H3,(H,22,25).
What are the key properties of 6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one?
6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one has a molecular weight of 346.48 g/mol, XLogP of 1.98, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]anilino]piperidin-2-one is sourced from PubChem (CID 164535728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).