N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide

C20H29N3O3 — CID 108555614

IUPACN-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(C(=O)c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C20H29N3O3/c1-4-15(5-2)19(25)22-17-9-11-23(12-10-17)20(26)16-7-6-8-18(13-16)21-14(3)24/h6-8,13,15,17H,4-5,9-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyDFSLISARBVSXEV-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.80
Rot. Bonds6

About N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide

N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide (PubChem CID 108555614) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide
PubChem CID108555614
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(C(=O)c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C20H29N3O3/c1-4-15(5-2)19(25)22-17-9-11-23(12-10-17)20(26)16-7-6-8-18(13-16)21-14(3)24/h6-8,13,15,17H,4-5,9-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyDFSLISARBVSXEV-UHFFFAOYSA-N
XLogP2.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
CID 110821528
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551288
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558184
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551397
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951
2-chloroethyl N-[1-(3-acetamidobenzoyl)piperidin-4-yl]carbamate
CID 108565532
4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
CID 110812202
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548929
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide
CID 108550975
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-ethylbutanamide
CID 110821563
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
N-[3-[4-[3-(dimethylamino)propanoyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110666185

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide?
The IUPAC name of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide (CID 108555614) is N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide?
The canonical SMILES for N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide is CCC(CC)C(=O)NC1CCN(C(=O)c2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide?
The InChIKey is DFSLISARBVSXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-15(5-2)19(25)22-17-9-11-23(12-10-17)20(26)16-7-6-8-18(13-16)21-14(3)24/h6-8,13,15,17H,4-5,9-12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide?
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide has a molecular weight of 359.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide is sourced from PubChem (CID 108555614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).