(3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide

C12H25N3O — CID 146478698

IUPAC(3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)N1[C@H](C)CN(C(=O)N(C)C)C[C@@H]1C
InChIInChI=1S/C12H25N3O/c1-9(2)15-10(3)7-14(8-11(15)4)12(16)13(5)6/h9-11H,7-8H2,1-6H3/t10-,11+
InChIKeyJXLGJICRDJKIDL-PHIMTYICSA-N
MW227.35 g/mol
LogP1.47
Rot. Bonds1

About (3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide

(3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 146478698) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID146478698
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)N1[C@H](C)CN(C(=O)N(C)C)C[C@@H]1C
InChIInChI=1S/C12H25N3O/c1-9(2)15-10(3)7-14(8-11(15)4)12(16)13(5)6/h9-11H,7-8H2,1-6H3/t10-,11+
InChIKeyJXLGJICRDJKIDL-PHIMTYICSA-N
XLogP1.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone
CID 163675775
1-N,1-N-dimethylazetidine-1,3-dicarboxamide
CID 130950203
N,N,3-trimethyl-4-(3-methylcyclobutyl)piperazine-1-carboxamide
CID 170078871
3-[ethyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide
CID 166901348
ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine
CID 171506336
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
4-(dimethylamino)-N,N,2-trimethylpyrrolidine-1-carboxamide
CID 156736934
N,N,3-trimethylpiperazine-1-carboxamide
CID 14090595
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160
1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone
CID 134573108
(2S,6R)-4-ethyl-2,6-dimethyl-1-propan-2-ylpiperazine
CID 135218538

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of (3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide (CID 146478698) is (3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for (3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for (3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide is CC(C)N1[C@H](C)CN(C(=O)N(C)C)C[C@@H]1C.
What is the InChIKey of (3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is JXLGJICRDJKIDL-PHIMTYICSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)15-10(3)7-14(8-11(15)4)12(16)13(5)6/h9-11H,7-8H2,1-6H3/t10-,11+.
What are the key properties of (3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide?
(3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 146478698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).