N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide

C15H29N3O2 — CID 71840430

IUPACN-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCCC(CNC(=O)C(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-5-12(4)17-15(20)18-8-6-7-13(10-18)9-16-14(19)11(2)3/h11-13H,5-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyZXMYEEKRGDMLCK-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.98
Rot. Bonds5

About N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide

N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide (PubChem CID 71840430) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
PubChem CID71840430
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCCC(CNC(=O)C(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-5-12(4)17-15(20)18-8-6-7-13(10-18)9-16-14(19)11(2)3/h11-13H,5-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyZXMYEEKRGDMLCK-UHFFFAOYSA-N
XLogP1.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide (CID 71840430) is N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide is CCC(C)NC(=O)N1CCCC(CNC(=O)C(C)C)C1.
What is the InChIKey of N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The InChIKey is ZXMYEEKRGDMLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-5-12(4)17-15(20)18-8-6-7-13(10-18)9-16-14(19)11(2)3/h11-13H,5-10H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71840430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).