N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide

C15H31N3O — CID 71852861

IUPACN,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide
SMILESCC(C)CN1CCN(CC(C)C)C(C(=O)N(C)C)C1
InChIInChI=1S/C15H31N3O/c1-12(2)9-17-7-8-18(10-13(3)4)14(11-17)15(19)16(5)6/h12-14H,7-11H2,1-6H3
InChIKeyRPKCGCVSSFSFDU-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.37
Rot. Bonds5

About N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide

N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide (PubChem CID 71852861) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide
PubChem CID71852861
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide
SMILESCC(C)CN1CCN(CC(C)C)C(C(=O)N(C)C)C1
InChIInChI=1S/C15H31N3O/c1-12(2)9-17-7-8-18(10-13(3)4)14(11-17)15(19)16(5)6/h12-14H,7-11H2,1-6H3
InChIKeyRPKCGCVSSFSFDU-UHFFFAOYSA-N
XLogP1.37
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide (CID 71852861) is N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide is CC(C)CN1CCN(CC(C)C)C(C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide?
The InChIKey is RPKCGCVSSFSFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)9-17-7-8-18(10-13(3)4)14(11-17)15(19)16(5)6/h12-14H,7-11H2,1-6H3.
What are the key properties of N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide?
N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide is sourced from PubChem (CID 71852861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).