N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide

C13H27N3O — CID 82243819

IUPACN,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC(C(C)C)NCC1C
InChIInChI=1S/C13H27N3O/c1-6-15(7-2)13(17)16-9-12(10(3)4)14-8-11(16)5/h10-12,14H,6-9H2,1-5H3
InChIKeyWTHUQALXIURMQO-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.77
Rot. Bonds3

About N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide

N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide (PubChem CID 82243819) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide
PubChem CID82243819
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC(C(C)C)NCC1C
InChIInChI=1S/C13H27N3O/c1-6-15(7-2)13(17)16-9-12(10(3)4)14-8-11(16)5/h10-12,14H,6-9H2,1-5H3
InChIKeyWTHUQALXIURMQO-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-methyl-5-(2-methylpropyl)piperazine-1-carboxamide
CID 82245441
(2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 82245066
2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide
CID 82246217
N,N-dimethyl-2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxamide
CID 82245449
(3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone
CID 82245986
1-heptyl-2-methyl-5-propan-2-ylpiperazine
CID 64833309
2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone
CID 82249015
cyclopropyl-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]methanone
CID 82242481
1-(2,2-difluoroethyl)-2-methyl-5-propan-2-ylpiperazine
CID 64831726
N,N-diethyl-2,4-dimethylpiperidine-1-carboxamide
CID 115644391
1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82246030
2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine
CID 106224486

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide (CID 82243819) is N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CC(C(C)C)NCC1C.
What is the InChIKey of N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is WTHUQALXIURMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-6-15(7-2)13(17)16-9-12(10(3)4)14-8-11(16)5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide?
N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 82243819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).