3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide

C17H27N3O — CID 61101990

IUPAC3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H27N3O/c1-12-14(6-5-7-15(12)18)16(21)19-13-8-10-20(11-9-13)17(2,3)4/h5-7,13H,8-11,18H2,1-4H3,(H,19,21)
InChIKeyNLAVZAONPWAZHX-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.57
Rot. Bonds2

About 3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide

3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide (PubChem CID 61101990) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
PubChem CID61101990
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H27N3O/c1-12-14(6-5-7-15(12)18)16(21)19-13-8-10-20(11-9-13)17(2,3)4/h5-7,13H,8-11,18H2,1-4H3,(H,19,21)
InChIKeyNLAVZAONPWAZHX-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
CID 115540148
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide
CID 103754728
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 114107036
N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide
CID 131947055
3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
CID 83027416

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide (CID 61101990) is 3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide is Cc1c(N)cccc1C(=O)NC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide?
The InChIKey is NLAVZAONPWAZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-14(6-5-7-15(12)18)16(21)19-13-8-10-20(11-9-13)17(2,3)4/h5-7,13H,8-11,18H2,1-4H3,(H,19,21).
What are the key properties of 3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide?
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide is sourced from PubChem (CID 61101990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).