N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide

C15H21N3O3 — CID 79158051

IUPACN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2cc3c(cc2N)OCCO3)C1
InChIInChI=1S/C15H21N3O3/c1-10-3-2-4-18(9-10)15(19)17-12-8-14-13(7-11(12)16)20-5-6-21-14/h7-8,10H,2-6,9,16H2,1H3,(H,17,19)
InChIKeyNTXVFLTTYDUVSZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.30
Rot. Bonds1

About N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide (PubChem CID 79158051) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide
PubChem CID79158051
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2cc3c(cc2N)OCCO3)C1
InChIInChI=1S/C15H21N3O3/c1-10-3-2-4-18(9-10)15(19)17-12-8-14-13(7-11(12)16)20-5-6-21-14/h7-8,10H,2-6,9,16H2,1H3,(H,17,19)
InChIKeyNTXVFLTTYDUVSZ-UHFFFAOYSA-N
XLogP2.30
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-propan-2-ylurea
CID 43551276
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)cycloheptanecarboxamide
CID 62585586
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 43548175
1-acetyl-N-(6-amino-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 119617953
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide
CID 47201238
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
(2S,6S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,6-dimethylmorpholine-4-carboxamide
CID 51945235
N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide
CID 79152846
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyloxolane-3-carboxamide
CID 79754636
methyl N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)carbamate
CID 43551379
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide (CID 79158051) is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2cc3c(cc2N)OCCO3)C1.
What is the InChIKey of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide?
The InChIKey is NTXVFLTTYDUVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-3-2-4-18(9-10)15(19)17-12-8-14-13(7-11(12)16)20-5-6-21-14/h7-8,10H,2-6,9,16H2,1H3,(H,17,19).
What are the key properties of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide?
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79158051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).