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

C18H26N2O3 — CID 95295388

IUPACN-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C18H26N2O3/c1-3-5-17(21)19-12-14-6-4-11-20(13-14)18(22)15-7-9-16(23-2)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyCVZGLFDMWGUSHZ-CQSZACIVSA-N
MW318.42 g/mol
LogP2.46
Rot. Bonds6

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

N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide (PubChem CID 95295388) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
PubChem CID95295388
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C18H26N2O3/c1-3-5-17(21)19-12-14-6-4-11-20(13-14)18(22)15-7-9-16(23-2)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyCVZGLFDMWGUSHZ-CQSZACIVSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119310763
N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide
CID 52513590
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-[[(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 25451717
N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23938280
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
2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552189

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide (CID 95295388) is N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide is CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide?
The InChIKey is CVZGLFDMWGUSHZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-5-17(21)19-12-14-6-4-11-20(13-14)18(22)15-7-9-16(23-2)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide?
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide has a molecular weight of 318.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 95295388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).