4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide

C15H21N3O3 — CID 43766812

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C15H21N3O3/c16-15(19)18-5-3-12(4-6-18)17-10-11-1-2-13-14(9-11)21-8-7-20-13/h1-2,9,12,17H,3-8,10H2,(H2,16,19)
InChIKeyMKZXGKRFVXRZNQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.09
Rot. Bonds3

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide

4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide (PubChem CID 43766812) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide
PubChem CID43766812
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C15H21N3O3/c16-15(19)18-5-3-12(4-6-18)17-10-11-1-2-13-14(9-11)21-8-7-20-13/h1-2,9,12,17H,3-8,10H2,(H2,16,19)
InChIKeyMKZXGKRFVXRZNQ-UHFFFAOYSA-N
XLogP1.09
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1,3-benzodioxol-5-ylmethylamino)piperidine-1-carboxylate
CID 2846590
tert-butyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)azepane-1-carboxylate
CID 58603126
tert-butyl N-(1-acetylpiperidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate;1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethanone
CID 158666069
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
benzyl-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)pyrrolidin-1-yl]carbamic acid
CID 68745925
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
CID 142837750
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139
4-(pyridin-4-ylmethylamino)piperidine-1-carboxamide
CID 43769393
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide
CID 51077514
[4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
CID 26361591
cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone
CID 97024600
3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 61249787

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide (CID 43766812) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide is NC(=O)N1CCC(NCc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide?
The InChIKey is MKZXGKRFVXRZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-15(19)18-5-3-12(4-6-18)17-10-11-1-2-13-14(9-11)21-8-7-20-13/h1-2,9,12,17H,3-8,10H2,(H2,16,19).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide?
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 43766812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).