N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide

C18H36N4O2 — CID 99786847

IUPACN-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H](C)N1CC(=O)NC(C)(C)C
InChIInChI=1S/C18H36N4O2/c1-13-9-21(11-15(23)19-17(3,4)5)10-14(2)22(13)12-16(24)20-18(6,7)8/h13-14H,9-12H2,1-8H3,(H,19,23)(H,20,24)/t13-,14+
InChIKeyNDQSHKAVGYDCOW-OKILXGFUSA-N
MW340.51 g/mol
LogP1.21
Rot. Bonds4

About N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide

N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide (PubChem CID 99786847) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide
PubChem CID99786847
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC NameN-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H](C)N1CC(=O)NC(C)(C)C
InChIInChI=1S/C18H36N4O2/c1-13-9-21(11-15(23)19-17(3,4)5)10-14(2)22(13)12-16(24)20-18(6,7)8/h13-14H,9-12H2,1-8H3,(H,19,23)(H,20,24)/t13-,14+
InChIKeyNDQSHKAVGYDCOW-OKILXGFUSA-N
XLogP1.21
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide
CID 129033915
N-tert-butyl-2-(3-methoxyazetidin-1-yl)acetamide
CID 129033912
1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 115918685
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
CID 81492142
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 155097087
2-(2,5-dimethylpyrrolidin-1-yl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 167753225
N-tert-butyl-2-(2-methyl-6-azaspiro[2.5]octan-6-yl)acetamide
CID 146383586
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;yttrium
CID 59282721
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
N-tert-butyl-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30641335
N-tert-butyl-2-(4-oxopiperidin-1-yl)acetamide
CID 24704213

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide (CID 99786847) is N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide is C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H](C)N1CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide?
The InChIKey is NDQSHKAVGYDCOW-OKILXGFUSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-13-9-21(11-15(23)19-17(3,4)5)10-14(2)22(13)12-16(24)20-18(6,7)8/h13-14H,9-12H2,1-8H3,(H,19,23)(H,20,24)/t13-,14+.
What are the key properties of N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide?
N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide has a molecular weight of 340.51 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide is sourced from PubChem (CID 99786847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).