3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide

C24H25N3O2 — CID 125157006

IUPAC3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide
SMILESNC(=O)CC[C@H]1CCCN(C(=O)c2cccc(-c3cncc4ccccc34)c2)C1
InChIInChI=1S/C24H25N3O2/c25-23(28)11-10-17-5-4-12-27(16-17)24(29)19-8-3-7-18(13-19)22-15-26-14-20-6-1-2-9-21(20)22/h1-3,6-9,13-15,17H,4-5,10-12,16H2,(H2,25,28)/t17-/m1/s1
InChIKeyNTDDVONADVCADO-QGZVFWFLSA-N
MW387.48 g/mol
LogP4.02
Rot. Bonds5

About 3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide

3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide (PubChem CID 125157006) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide
PubChem CID125157006
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide
SMILESNC(=O)CC[C@H]1CCCN(C(=O)c2cccc(-c3cncc4ccccc34)c2)C1
InChIInChI=1S/C24H25N3O2/c25-23(28)11-10-17-5-4-12-27(16-17)24(29)19-8-3-7-18(13-19)22-15-26-14-20-6-1-2-9-21(20)22/h1-3,6-9,13-15,17H,4-5,10-12,16H2,(H2,25,28)/t17-/m1/s1
InChIKeyNTDDVONADVCADO-QGZVFWFLSA-N
XLogP4.02
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide
CID 126766405
3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 120536454
[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 63766901
3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124702008
3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride
CID 119945100
1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone
CID 119062026
3-[3-[(3S)-3-aminopiperidine-1-carbonyl]phenyl]chromen-2-one
CID 171914664
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 119465103
[3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 118740162
[3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95555128

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide (CID 125157006) is 3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide is NC(=O)CC[C@H]1CCCN(C(=O)c2cccc(-c3cncc4ccccc34)c2)C1.
What is the InChIKey of 3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide?
The InChIKey is NTDDVONADVCADO-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25N3O2/c25-23(28)11-10-17-5-4-12-27(16-17)24(29)19-8-3-7-18(13-19)22-15-26-14-20-6-1-2-9-21(20)22/h1-3,6-9,13-15,17H,4-5,10-12,16H2,(H2,25,28)/t17-/m1/s1.
What are the key properties of 3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide?
3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide has a molecular weight of 387.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 125157006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).