2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide

C17H26N4O2 — CID 119946633

IUPAC2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2ccccc2N)CC1
InChIInChI=1S/C17H26N4O2/c1-2-9-19-16(22)12-21-10-7-13(8-11-21)20-17(23)14-5-3-4-6-15(14)18/h3-6,13H,2,7-12,18H2,1H3,(H,19,22)(H,20,23)
InChIKeyDIDIOYLQYWTHSO-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.99
Rot. Bonds6

About 2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide

2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide (PubChem CID 119946633) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
PubChem CID119946633
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2ccccc2N)CC1
InChIInChI=1S/C17H26N4O2/c1-2-9-19-16(22)12-21-10-7-13(8-11-21)20-17(23)14-5-3-4-6-15(14)18/h3-6,13H,2,7-12,18H2,1H3,(H,19,22)(H,20,23)
InChIKeyDIDIOYLQYWTHSO-UHFFFAOYSA-N
XLogP0.99
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55842838
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
CID 119947092
1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide
CID 55959738
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
2-amino-2-(4-methylphenyl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
CID 120669746
3-fluoro-4-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39145303
3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39146873
1-(4-chlorophenyl)-2,5-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]pyrrole-3-carboxamide
CID 52711859
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 61213391
2-(2,4-dimethylphenyl)sulfanyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 55658083

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide (CID 119946633) is 2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide is CCCNC(=O)CN1CCC(NC(=O)c2ccccc2N)CC1.
What is the InChIKey of 2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
The InChIKey is DIDIOYLQYWTHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-9-19-16(22)12-21-10-7-13(8-11-21)20-17(23)14-5-3-4-6-15(14)18/h3-6,13H,2,7-12,18H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 119946633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).