N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide

C20H25N3O3 — CID 60621042

IUPACN-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(C(=O)c2cc3ccccc3c(OC)n2)C1
InChIInChI=1S/C20H25N3O3/c1-3-7-18(24)21-15-9-6-11-23(13-15)20(25)17-12-14-8-4-5-10-16(14)19(22-17)26-2/h4-5,8,10,12,15H,3,6-7,9,11,13H2,1-2H3,(H,21,24)
InChIKeySQXQIRLBSSWODY-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.76
Rot. Bonds5

About N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide

N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide (PubChem CID 60621042) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide
PubChem CID60621042
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(C(=O)c2cc3ccccc3c(OC)n2)C1
InChIInChI=1S/C20H25N3O3/c1-3-7-18(24)21-15-9-6-11-23(13-15)20(25)17-12-14-8-4-5-10-16(14)19(22-17)26-2/h4-5,8,10,12,15H,3,6-7,9,11,13H2,1-2H3,(H,21,24)
InChIKeySQXQIRLBSSWODY-UHFFFAOYSA-N
XLogP2.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 75419494
(3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 97007368
N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide
CID 119761707
(1-methoxyisoquinolin-3-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 71935286
(1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone
CID 146125418
(3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 95309440
N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide
CID 52851447
N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide
CID 96567399
N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide
CID 96529433
(2,4-dimethylpiperazin-1-yl)-(1-methoxyisoquinolin-3-yl)methanone
CID 71877416
[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 119488384
N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide?
The IUPAC name of N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide (CID 60621042) is N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide.
What is the SMILES notation for N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide?
The canonical SMILES for N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide is CCCC(=O)NC1CCCN(C(=O)c2cc3ccccc3c(OC)n2)C1.
What is the InChIKey of N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide?
The InChIKey is SQXQIRLBSSWODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-7-18(24)21-15-9-6-11-23(13-15)20(25)17-12-14-8-4-5-10-16(14)19(22-17)26-2/h4-5,8,10,12,15H,3,6-7,9,11,13H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide?
N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide has a molecular weight of 355.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 60621042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).