N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide

C23H32N4O3 — CID 42791855

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide
SMILESCc1cc(CN(Cc2ccc3c(c2)OCCO3)C(=O)CCN2CCCCC2)nn1C
InChIInChI=1S/C23H32N4O3/c1-18-14-20(24-25(18)2)17-27(23(28)8-11-26-9-4-3-5-10-26)16-19-6-7-21-22(15-19)30-13-12-29-21/h6-7,14-15H,3-5,8-13,16-17H2,1-2H3
InChIKeyBYPUQNPBORRWFQ-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.90
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide (PubChem CID 42791855) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide
PubChem CID42791855
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide
SMILESCc1cc(CN(Cc2ccc3c(c2)OCCO3)C(=O)CCN2CCCCC2)nn1C
InChIInChI=1S/C23H32N4O3/c1-18-14-20(24-25(18)2)17-27(23(28)8-11-26-9-4-3-5-10-26)16-19-6-7-21-22(15-19)30-13-12-29-21/h6-7,14-15H,3-5,8-13,16-17H2,1-2H3
InChIKeyBYPUQNPBORRWFQ-UHFFFAOYSA-N
XLogP2.90
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methylsulfonylacetamide
CID 42793801
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]quinoline-2-carboxamide
CID 42796893
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94821421
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide
CID 4151500
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 25496038
N,N-diethyl-3-piperidin-1-ylpropanamide
CID 110688324
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26071977
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56515554
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 78811641
N-[[1-(1,3-benzodioxol-5-yl)propan-2-yl-ethylamino]methyl]-3-piperidin-1-ylpropanamide
CID 168989295
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 146123063

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide (CID 42791855) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide is Cc1cc(CN(Cc2ccc3c(c2)OCCO3)C(=O)CCN2CCCCC2)nn1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide?
The InChIKey is BYPUQNPBORRWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-18-14-20(24-25(18)2)17-27(23(28)8-11-26-9-4-3-5-10-26)16-19-6-7-21-22(15-19)30-13-12-29-21/h6-7,14-15H,3-5,8-13,16-17H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide has a molecular weight of 412.53 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 42791855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).