N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide

C19H28N2O2 — CID 95294529

IUPACN-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(CC)cc2)C1
InChIInChI=1S/C19H28N2O2/c1-3-6-18(22)20-13-16-7-5-12-21(14-16)19(23)17-10-8-15(4-2)9-11-17/h8-11,16H,3-7,12-14H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeySWYJUIQXVHQUFT-MRXNPFEDSA-N
MW316.45 g/mol
LogP3.02
Rot. Bonds6

About N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide

N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide (PubChem CID 95294529) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
PubChem CID95294529
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(CC)cc2)C1
InChIInChI=1S/C19H28N2O2/c1-3-6-18(22)20-13-16-7-5-12-21(14-16)19(23)17-10-8-15(4-2)9-11-17/h8-11,16H,3-7,12-14H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeySWYJUIQXVHQUFT-MRXNPFEDSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119310763
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 95292303
N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761652
5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
N-[[(3S)-1-[4-[methyl(phenyl)sulfamoyl]benzoyl]piperidin-3-yl]methyl]butanamide
CID 52514335
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467
N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
CID 71934329
N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide
CID 97312968
N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide
CID 91917750

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide (CID 95294529) is N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide is CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(CC)cc2)C1.
What is the InChIKey of N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide?
The InChIKey is SWYJUIQXVHQUFT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-6-18(22)20-13-16-7-5-12-21(14-16)19(23)17-10-8-15(4-2)9-11-17/h8-11,16H,3-7,12-14H2,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide?
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide has a molecular weight of 316.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 95294529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).