4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide

C19H32N4O2 — CID 136533856

IUPAC4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide
SMILESCC1CN(CC(C)(C)O)CCN1C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C19H32N4O2/c1-16-14-22(15-19(2,3)25)12-13-23(16)18(24)20-10-11-21(4)17-8-6-5-7-9-17/h5-9,16,25H,10-15H2,1-4H3,(H,20,24)
InChIKeyZTOCNRIGZDNYEG-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.61
Rot. Bonds6

About 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide

4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide (PubChem CID 136533856) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide
PubChem CID136533856
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide
SMILESCC1CN(CC(C)(C)O)CCN1C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C19H32N4O2/c1-16-14-22(15-19(2,3)25)12-13-23(16)18(24)20-10-11-21(4)17-8-6-5-7-9-17/h5-9,16,25H,10-15H2,1-4H3,(H,20,24)
InChIKeyZTOCNRIGZDNYEG-UHFFFAOYSA-N
XLogP1.61
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
CID 131963672
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide
CID 86817502
5-methyl-N-[4-(N-methylanilino)butyl]-1,4-oxazepane-4-carboxamide
CID 84596201
(2R)-N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide
CID 129436522
3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 115583169
2-(4-aminopiperidin-1-yl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 79323412
1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 86911818
[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 139002271
4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide
CID 78831358
(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 95149532
1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 47989978
N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide
CID 78882681

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide (CID 136533856) is 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide is CC1CN(CC(C)(C)O)CCN1C(=O)NCCN(C)c1ccccc1.
What is the InChIKey of 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide?
The InChIKey is ZTOCNRIGZDNYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-16-14-22(15-19(2,3)25)12-13-23(16)18(24)20-10-11-21(4)17-8-6-5-7-9-17/h5-9,16,25H,10-15H2,1-4H3,(H,20,24).
What are the key properties of 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide?
4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 136533856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).