(2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide

C17H35N3O — CID 97014470

IUPAC(2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide
SMILESCC(C)CCN1CCN(CCC(C)C)[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C17H35N3O/c1-14(2)7-9-19-11-12-20(10-8-15(3)4)16(13-19)17(21)18(5)6/h14-16H,7-13H2,1-6H3/t16-/m0/s1
InChIKeyCQBULMUJOCEYIH-INIZCTEOSA-N
MW297.49 g/mol
LogP2.15
Rot. Bonds7

About (2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide

(2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide (PubChem CID 97014470) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide
PubChem CID97014470
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name(2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide
SMILESCC(C)CCN1CCN(CCC(C)C)[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C17H35N3O/c1-14(2)7-9-19-11-12-20(10-8-15(3)4)16(13-19)17(21)18(5)6/h14-16H,7-13H2,1-6H3/t16-/m0/s1
InChIKeyCQBULMUJOCEYIH-INIZCTEOSA-N
XLogP2.15
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide (CID 97014470) is (2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide is CC(C)CCN1CCN(CCC(C)C)[C@H](C(=O)N(C)C)C1.
What is the InChIKey of (2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide?
The InChIKey is CQBULMUJOCEYIH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H35N3O/c1-14(2)7-9-19-11-12-20(10-8-15(3)4)16(13-19)17(21)18(5)6/h14-16H,7-13H2,1-6H3/t16-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide?
(2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide has a molecular weight of 297.49 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-1,4-bis(3-methylbutyl)piperazine-2-carboxamide is sourced from PubChem (CID 97014470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).