N,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium

C23H47N6O2Y- — CID 169183215

IUPACN,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium
SMILESCC(C)N(C)C1CCCN(C(=O)N(C)C)C1.C[N-]C1CCN(C(=O)N(C)C(C)C)CC1.[Y]
InChIInChI=1S/C12H25N3O.C11H22N3O.Y/c1-10(2)14(5)11-7-6-8-15(9-11)12(16)13(3)4;1-9(2)13(4)11(15)14-7-5-10(12-3)6-8-14;/h10-11H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;/q;-1;
InChIKeyYVZGLVAYCCEFOQ-UHFFFAOYSA-N
MW528.58 g/mol
LogP3.38
Rot. Bonds4

About N,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium

N,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium (PubChem CID 169183215) has the molecular formula C23H47N6O2Y- and a molecular weight of 528.58 g/mol. Its IUPAC name is N,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium.

Molecular Properties

Compound NameN,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium
PubChem CID169183215
Molecular FormulaC23H47N6O2Y-
Molecular Weight528.58 g/mol
Exact Mass528.28
IUPAC NameN,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium
SMILESCC(C)N(C)C1CCCN(C(=O)N(C)C)C1.C[N-]C1CCN(C(=O)N(C)C(C)C)CC1.[Y]
InChIInChI=1S/C12H25N3O.C11H22N3O.Y/c1-10(2)14(5)11-7-6-8-15(9-11)12(16)13(3)4;1-9(2)13(4)11(15)14-7-5-10(12-3)6-8-14;/h10-11H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;/q;-1;
InChIKeyYVZGLVAYCCEFOQ-UHFFFAOYSA-N
XLogP3.38
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.58
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium?
The IUPAC name of N,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium (CID 169183215) is N,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium.
What is the SMILES notation for N,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium?
The canonical SMILES for N,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium is CC(C)N(C)C1CCCN(C(=O)N(C)C)C1.C[N-]C1CCN(C(=O)N(C)C(C)C)CC1.[Y].
What is the InChIKey of N,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium?
The InChIKey is YVZGLVAYCCEFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.C11H22N3O.Y/c1-10(2)14(5)11-7-6-8-15(9-11)12(16)13(3)4;1-9(2)13(4)11(15)14-7-5-10(12-3)6-8-14;/h10-11H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;/q;-1;.
What are the key properties of N,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium?
N,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium has a molecular weight of 528.58 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[methyl(propan-2-yl)amino]piperidine-1-carboxamide;methyl-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]azanide;yttrium is sourced from PubChem (CID 169183215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).