N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide

C21H29N3O2 — CID 124726200

IUPACN-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(c2c(C)cnc3c(OC)cccc23)C1
InChIInChI=1S/C21H29N3O2/c1-4-7-19(25)22-13-16-8-6-11-24(14-16)21-15(2)12-23-20-17(21)9-5-10-18(20)26-3/h5,9-10,12,16H,4,6-8,11,13-14H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyBRNLUERZKNUHOS-MRXNPFEDSA-N
MW355.48 g/mol
LogP3.68
Rot. Bonds6

About N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide

N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide (PubChem CID 124726200) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide
PubChem CID124726200
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(c2c(C)cnc3c(OC)cccc23)C1
InChIInChI=1S/C21H29N3O2/c1-4-7-19(25)22-13-16-8-6-11-24(14-16)21-15(2)12-23-20-17(21)9-5-10-18(20)26-3/h5,9-10,12,16H,4,6-8,11,13-14H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyBRNLUERZKNUHOS-MRXNPFEDSA-N
XLogP3.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]propanamide
CID 119044389
(3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 95273174
1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106571
8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 39732432
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
bis[[1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxy]-oxophosphanium
CID 175457534
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
1-[1-(8-methoxy-3-methylquinolin-4-yl)piperidin-4-yl]imidazolidin-2-one
CID 91651269
[(3S)-1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxymethylphosphonic acid
CID 166527093
N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide
CID 95158748
N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide
CID 52513590
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide (CID 124726200) is N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide is CCCC(=O)NC[C@H]1CCCN(c2c(C)cnc3c(OC)cccc23)C1.
What is the InChIKey of N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide?
The InChIKey is BRNLUERZKNUHOS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-7-19(25)22-13-16-8-6-11-24(14-16)21-15(2)12-23-20-17(21)9-5-10-18(20)26-3/h5,9-10,12,16H,4,6-8,11,13-14H2,1-3H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide?
N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide has a molecular weight of 355.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(8-methoxy-3-methylquinolin-4-yl)piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 124726200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).