N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide

C21H23N3O5 — CID 108558184

IUPACN-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)c3cc(O)cc(O)c3)CC2)c1
InChIInChI=1S/C21H23N3O5/c1-13(25)22-17-4-2-3-14(9-17)21(29)24-7-5-16(6-8-24)23-20(28)15-10-18(26)12-19(27)11-15/h2-4,9-12,16,26-27H,5-8H2,1H3,(H,22,25)(H,23,28)
InChIKeyNTTOFYDLXWKYON-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.09
Rot. Bonds4

About N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide

N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide (PubChem CID 108558184) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
PubChem CID108558184
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)c3cc(O)cc(O)c3)CC2)c1
InChIInChI=1S/C21H23N3O5/c1-13(25)22-17-4-2-3-14(9-17)21(29)24-7-5-16(6-8-24)23-20(28)15-10-18(26)12-19(27)11-15/h2-4,9-12,16,26-27H,5-8H2,1H3,(H,22,25)(H,23,28)
InChIKeyNTTOFYDLXWKYON-UHFFFAOYSA-N
XLogP2.09
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551397
N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558150
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548929
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551288
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555614
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108553848
4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
CID 110812202
3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 108553808
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
2-chloroethyl N-[1-(3-acetamidobenzoyl)piperidin-4-yl]carbamate
CID 108565532

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide (CID 108558184) is N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide is CC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)c3cc(O)cc(O)c3)CC2)c1.
What is the InChIKey of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The InChIKey is NTTOFYDLXWKYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-13(25)22-17-4-2-3-14(9-17)21(29)24-7-5-16(6-8-24)23-20(28)15-10-18(26)12-19(27)11-15/h2-4,9-12,16,26-27H,5-8H2,1H3,(H,22,25)(H,23,28).
What are the key properties of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide has a molecular weight of 397.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 108558184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).