N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide

C24H29N3O3 — CID 6625961

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCC(CN2CCc3ccccc3C2)CC1
InChIInChI=1S/C24H29N3O3/c28-24(25-21-5-6-22-23(15-21)30-14-13-29-22)27-11-7-18(8-12-27)16-26-10-9-19-3-1-2-4-20(19)17-26/h1-6,15,18H,7-14,16-17H2,(H,25,28)
InChIKeyZVGUZWRBRRJYNP-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.76
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 6625961) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide
PubChem CID6625961
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCC(CN2CCc3ccccc3C2)CC1
InChIInChI=1S/C24H29N3O3/c28-24(25-21-5-6-22-23(15-21)30-14-13-29-22)27-11-7-18(8-12-27)16-26-10-9-19-3-1-2-4-20(19)17-26/h1-6,15,18H,7-14,16-17H2,(H,25,28)
InChIKeyZVGUZWRBRRJYNP-UHFFFAOYSA-N
XLogP3.76
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 20907559
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105757
N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide
CID 90493851
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107431
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 9248269
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 17349195
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
CID 115578699
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969590
4-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carboxamide
CID 17087357
4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
CID 46380373
4-[[4-(aminomethyl)triazol-1-yl]methyl]-N-(1,3-benzodioxol-5-yl)piperidine-1-carboxamide
CID 31004466
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17087387

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide (CID 6625961) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)N1CCC(CN2CCc3ccccc3C2)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is ZVGUZWRBRRJYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-24(25-21-5-6-22-23(15-21)30-14-13-29-22)27-11-7-18(8-12-27)16-26-10-9-19-3-1-2-4-20(19)17-26/h1-6,15,18H,7-14,16-17H2,(H,25,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 6625961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).