N-butyl-2,6-dimethylpiperazine-1-carboxamide

C11H23N3O — CID 63911594

IUPACN-butyl-2,6-dimethylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1C(C)CNCC1C
InChIInChI=1S/C11H23N3O/c1-4-5-6-13-11(15)14-9(2)7-12-8-10(14)3/h9-10,12H,4-8H2,1-3H3,(H,13,15)
InChIKeySNQKMMQALUQNMT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.18
Rot. Bonds3

About N-butyl-2,6-dimethylpiperazine-1-carboxamide

N-butyl-2,6-dimethylpiperazine-1-carboxamide (PubChem CID 63911594) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-butyl-2,6-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2,6-dimethylpiperazine-1-carboxamide
PubChem CID63911594
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-butyl-2,6-dimethylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1C(C)CNCC1C
InChIInChI=1S/C11H23N3O/c1-4-5-6-13-11(15)14-9(2)7-12-8-10(14)3/h9-10,12H,4-8H2,1-3H3,(H,13,15)
InChIKeySNQKMMQALUQNMT-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-methylaziridine-1-carboxamide
CID 91621648
N-butylaziridine-1-carboxamide
CID 55206947
3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride
CID 154586687
4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide
CID 165457542
N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673671
1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 12914605
1-[(2R)-2,6-dimethylpiperazin-1-yl]ethanone
CID 143550985
4-amino-N-butyl-2-methylpiperidine-1-carboxamide
CID 115312277
N-butyl-3-piperidin-4-yloxyazetidine-1-carboxamide
CID 165450809
(4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910772
N-butyl-2-methylthiomorpholine-4-carboxamide
CID 115612052
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,6-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-butyl-2,6-dimethylpiperazine-1-carboxamide (CID 63911594) is N-butyl-2,6-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-butyl-2,6-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-butyl-2,6-dimethylpiperazine-1-carboxamide is CCCCNC(=O)N1C(C)CNCC1C.
What is the InChIKey of N-butyl-2,6-dimethylpiperazine-1-carboxamide?
The InChIKey is SNQKMMQALUQNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-5-6-13-11(15)14-9(2)7-12-8-10(14)3/h9-10,12H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-butyl-2,6-dimethylpiperazine-1-carboxamide?
N-butyl-2,6-dimethylpiperazine-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,6-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 63911594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).