2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide

C23H45N3O — CID 172511649

IUPAC2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide
SMILESCN(C(=O)CNC(C)(C)C)C1CCN(CC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C23H45N3O/c1-22(2,3)19-10-8-18(9-11-19)17-26-14-12-20(13-15-26)25(7)21(27)16-24-23(4,5)6/h18-20,24H,8-17H2,1-7H3
InChIKeyNOWAUKBTSIYBGF-UHFFFAOYSA-N
MW379.63 g/mol
LogP4.15
Rot. Bonds5

About 2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide

2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 172511649) has the molecular formula C23H45N3O and a molecular weight of 379.63 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide
PubChem CID172511649
Molecular FormulaC23H45N3O
Molecular Weight379.63 g/mol
Exact Mass379.36
IUPAC Name2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide
SMILESCN(C(=O)CNC(C)(C)C)C1CCN(CC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C23H45N3O/c1-22(2,3)19-10-8-18(9-11-19)17-26-14-12-20(13-15-26)25(7)21(27)16-24-23(4,5)6/h18-20,24H,8-17H2,1-7H3
InChIKeyNOWAUKBTSIYBGF-UHFFFAOYSA-N
XLogP4.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-cyclopentyl-N-methylacetamide
CID 78987089
2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043256
N-[1-(cyclohexylmethyl)piperidin-4-yl]-N-methylacetamide
CID 174748240
N-cyclopropyl-N-methyl-2-(2-methylbutan-2-ylamino)acetamide
CID 61488557
1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine
CID 104575640
N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide
CID 136578705
1-(cyclopropylmethyl)-N,N-dimethylpiperidin-4-amine
CID 121338360
2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 78925625
3-(4-aminocyclohexyl)-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 62782861
1-[(4-tert-butylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 104576017
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823
4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
CID 160513190

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide (CID 172511649) is 2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide is CN(C(=O)CNC(C)(C)C)C1CCN(CC2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is NOWAUKBTSIYBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3O/c1-22(2,3)19-10-8-18(9-11-19)17-26-14-12-20(13-15-26)25(7)21(27)16-24-23(4,5)6/h18-20,24H,8-17H2,1-7H3.
What are the key properties of 2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide?
2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 379.63 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 172511649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).