2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide

C26H35N3O2 — CID 7301589

IUPAC2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide
SMILESCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C26H35N3O2/c1-4-5-11-25(30)28-22-12-13-24(29-16-14-19(2)15-17-29)23(18-22)26(31)27-20(3)21-9-7-6-8-10-21/h6-10,12-13,18-20H,4-5,11,14-17H2,1-3H3,(H,27,31)(H,28,30)/t20-/m0/s1
InChIKeyMFQAKOMJXUVVJU-FQEVSTJZSA-N
MW421.59 g/mol
LogP5.54
Rot. Bonds8

About 2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide

2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 7301589) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide
PubChem CID7301589
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide
SMILESCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C26H35N3O2/c1-4-5-11-25(30)28-22-12-13-24(29-16-14-19(2)15-17-29)23(18-22)26(31)27-20(3)21-9-7-6-8-10-21/h6-10,12-13,18-20H,4-5,11,14-17H2,1-3H3,(H,27,31)(H,28,30)/t20-/m0/s1
InChIKeyMFQAKOMJXUVVJU-FQEVSTJZSA-N
XLogP5.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 92907888
5-[[(2S)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 1063492
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4299183
5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4691475
N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide
CID 93098297
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209
2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3884953
5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 5166911
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3395530
5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4302444
5-(3,3-dimethylbutanoylamino)-N-[(1S)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 1066129

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide (CID 7301589) is 2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide is CCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)N[C@@H](C)c2ccccc2)c1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is MFQAKOMJXUVVJU-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-4-5-11-25(30)28-22-12-13-24(29-16-14-19(2)15-17-29)23(18-22)26(31)27-20(3)21-9-7-6-8-10-21/h6-10,12-13,18-20H,4-5,11,14-17H2,1-3H3,(H,27,31)(H,28,30)/t20-/m0/s1.
What are the key properties of 2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide?
2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 421.59 g/mol, XLogP of 5.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 7301589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).