N-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide

C19H37N3O3 — CID 21032178

IUPACN-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
SMILESCC(C)C(CO)N(C)C(=O)C(NC(=O)C1CCCCN1C)C(C)(C)C
InChIInChI=1S/C19H37N3O3/c1-13(2)15(12-23)22(7)18(25)16(19(3,4)5)20-17(24)14-10-8-9-11-21(14)6/h13-16,23H,8-12H2,1-7H3,(H,20,24)
InChIKeyMODKABNRDIROSU-UHFFFAOYSA-N
MW355.52 g/mol
LogP1.48
Rot. Bonds6

About N-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide

N-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide (PubChem CID 21032178) has the molecular formula C19H37N3O3 and a molecular weight of 355.52 g/mol. Its IUPAC name is N-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
PubChem CID21032178
Molecular FormulaC19H37N3O3
Molecular Weight355.52 g/mol
Exact Mass355.28
IUPAC NameN-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
SMILESCC(C)C(CO)N(C)C(=O)C(NC(=O)C1CCCCN1C)C(C)(C)C
InChIInChI=1S/C19H37N3O3/c1-13(2)15(12-23)22(7)18(25)16(19(3,4)5)20-17(24)14-10-8-9-11-21(14)6/h13-16,23H,8-12H2,1-7H3,(H,20,24)
InChIKeyMODKABNRDIROSU-UHFFFAOYSA-N
XLogP1.48
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of N-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide (CID 21032178) is N-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide is CC(C)C(CO)N(C)C(=O)C(NC(=O)C1CCCCN1C)C(C)(C)C.
What is the InChIKey of N-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?
The InChIKey is MODKABNRDIROSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O3/c1-13(2)15(12-23)22(7)18(25)16(19(3,4)5)20-17(24)14-10-8-9-11-21(14)6/h13-16,23H,8-12H2,1-7H3,(H,20,24).
What are the key properties of N-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?
N-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide has a molecular weight of 355.52 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 21032178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).