N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide

C21H32N4O3 — CID 36864784

IUPACN-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NCC(=O)NC(=O)NC(C)(C)C)C1
InChIInChI=1S/C21H32N4O3/c1-14-10-15(2)13-25(12-14)19(27)16-8-6-7-9-17(16)22-11-18(26)23-20(28)24-21(3,4)5/h6-9,14-15,22H,10-13H2,1-5H3,(H2,23,24,26,28)/t14-,15+
InChIKeyGBRBOCPPRVRZOL-GASCZTMLSA-N
MW388.51 g/mol
LogP2.84
Rot. Bonds4

About N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide

N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide (PubChem CID 36864784) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide
PubChem CID36864784
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NCC(=O)NC(=O)NC(C)(C)C)C1
InChIInChI=1S/C21H32N4O3/c1-14-10-15(2)13-25(12-14)19(27)16-8-6-7-9-17(16)22-11-18(26)23-20(28)24-21(3,4)5/h6-9,14-15,22H,10-13H2,1-5H3,(H2,23,24,26,28)/t14-,15+
InChIKeyGBRBOCPPRVRZOL-GASCZTMLSA-N
XLogP2.84
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide
CID 112822832
2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide
CID 26526540
4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 102554567
2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide
CID 36588357
(3,5-dimethylpiperidin-1-yl)-[2-(3-methylsulfonylpropylamino)phenyl]methanone
CID 131960945
N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119717948
N-(tert-butylcarbamoyl)-2-(2-phenylanilino)acetamide
CID 42068095
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2-nitroanilino)propanamide
CID 46442916
N-(tert-butylcarbamoyl)-2-(3-chloro-2-methylanilino)acetamide
CID 26507318
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 51942966
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide (CID 36864784) is N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide is C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NCC(=O)NC(=O)NC(C)(C)C)C1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide?
The InChIKey is GBRBOCPPRVRZOL-GASCZTMLSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-14-10-15(2)13-25(12-14)19(27)16-8-6-7-9-17(16)22-11-18(26)23-20(28)24-21(3,4)5/h6-9,14-15,22H,10-13H2,1-5H3,(H2,23,24,26,28)/t14-,15+.
What are the key properties of N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide?
N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide has a molecular weight of 388.51 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide is sourced from PubChem (CID 36864784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).