N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide

C17H27N3O — CID 43728511

IUPACN-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-18-17(21)14-5-7-15(8-6-14)19-16-9-11-20(12-10-16)13(2)3/h5-8,13,16,19H,4,9-12H2,1-3H3,(H,18,21)
InChIKeyHOBBMJRAVLWZNW-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.72
Rot. Bonds5

About N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide

N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide (PubChem CID 43728511) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
PubChem CID43728511
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-18-17(21)14-5-7-15(8-6-14)19-16-9-11-20(12-10-16)13(2)3/h5-8,13,16,19H,4,9-12H2,1-3H3,(H,18,21)
InChIKeyHOBBMJRAVLWZNW-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43680712
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
4-(cyclohexylamino)-N-ethylbenzamide
CID 43728555
N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
CID 43728562
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
CID 65084455
2-[4-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]ethanol
CID 61237683
N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide
CID 55796342
4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide
CID 105364171
4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 168882317
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
N-[2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 111316838
4-(ethylsulfamoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 24543001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide?
The IUPAC name of N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide (CID 43728511) is N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide.
What is the SMILES notation for N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide?
The canonical SMILES for N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide is CCNC(=O)c1ccc(NC2CCN(C(C)C)CC2)cc1.
What is the InChIKey of N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide?
The InChIKey is HOBBMJRAVLWZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-18-17(21)14-5-7-15(8-6-14)19-16-9-11-20(12-10-16)13(2)3/h5-8,13,16,19H,4,9-12H2,1-3H3,(H,18,21).
What are the key properties of N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide?
N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide is sourced from PubChem (CID 43728511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).