5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide

C27H44N4O3 — CID 5141483

IUPAC5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C27H44N4O3/c1-3-4-5-6-8-26(32)29-23-9-10-25(31-15-11-22(2)12-16-31)24(21-23)27(33)28-13-7-14-30-17-19-34-20-18-30/h9-10,21-22H,3-8,11-20H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyDVDHUCCONNLGPZ-UHFFFAOYSA-N
MW472.67 g/mol
LogP4.28
Rot. Bonds12

About 5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide

5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 5141483) has the molecular formula C27H44N4O3 and a molecular weight of 472.67 g/mol. Its IUPAC name is 5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID5141483
Molecular FormulaC27H44N4O3
Molecular Weight472.67 g/mol
Exact Mass472.34
IUPAC Name5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C27H44N4O3/c1-3-4-5-6-8-26(32)29-23-9-10-25(31-15-11-22(2)12-16-31)24(21-23)27(33)28-13-7-14-30-17-19-34-20-18-30/h9-10,21-22H,3-8,11-20H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyDVDHUCCONNLGPZ-UHFFFAOYSA-N
XLogP4.28
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.67
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751410
2-(4-benzylpiperidin-1-yl)-5-(decanoylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 42659443
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
CID 4693028
5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 5202151
5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3296405
5-(decanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 3919832
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide
CID 5234942
N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757238
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-[(2-phenylmethoxyacetyl)amino]benzamide
CID 42751459
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
5-[(3-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 42751462
5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42751352

Frequently Asked Questions

What is the IUPAC name of 5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 5141483) is 5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide is CCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is DVDHUCCONNLGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N4O3/c1-3-4-5-6-8-26(32)29-23-9-10-25(31-15-11-22(2)12-16-31)24(21-23)27(33)28-13-7-14-30-17-19-34-20-18-30/h9-10,21-22H,3-8,11-20H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of 5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 472.67 g/mol, XLogP of 4.28, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 5141483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).