N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide

C21H28N2O4 — CID 55923131

IUPACN-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NC(c2ccc3c(c2)OCCO3)C2CC2)C1
InChIInChI=1S/C21H28N2O4/c1-2-19(24)23-9-3-4-16(13-23)21(25)22-20(14-5-6-14)15-7-8-17-18(12-15)27-11-10-26-17/h7-8,12,14,16,20H,2-6,9-11,13H2,1H3,(H,22,25)
InChIKeyULLHHZXZERKHJK-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.67
Rot. Bonds5

About N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide

N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 55923131) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID55923131
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NC(c2ccc3c(c2)OCCO3)C2CC2)C1
InChIInChI=1S/C21H28N2O4/c1-2-19(24)23-9-3-4-16(13-23)21(25)22-20(14-5-6-14)15-7-8-17-18(12-15)27-11-10-26-17/h7-8,12,14,16,20H,2-6,9-11,13H2,1H3,(H,22,25)
InChIKeyULLHHZXZERKHJK-UHFFFAOYSA-N
XLogP2.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55982395
(3R)-1-N-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94651536
(3R)-3-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine-1,3-dicarboxamide
CID 39495070
(3S)-3-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine-1,3-dicarboxamide
CID 39495072
(2S)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-methylbutanamide
CID 94798479
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24535126
(3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 94609410
1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 55911700
1-butyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 123938466
(4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97079177
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 43490475
(3R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 92667685

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide (CID 55923131) is N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)NC(c2ccc3c(c2)OCCO3)C2CC2)C1.
What is the InChIKey of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is ULLHHZXZERKHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-2-19(24)23-9-3-4-16(13-23)21(25)22-20(14-5-6-14)15-7-8-17-18(12-15)27-11-10-26-17/h7-8,12,14,16,20H,2-6,9-11,13H2,1H3,(H,22,25).
What are the key properties of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 55923131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).