cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone

C19H26N2O3 — CID 97024600

IUPACcyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H26N2O3/c1-13-12-21(19(22)15-3-4-15)7-6-16(13)20-11-14-2-5-17-18(10-14)24-9-8-23-17/h2,5,10,13,15-16,20H,3-4,6-9,11-12H2,1H3/t13-,16+/m0/s1
InChIKeyOYVLUULHQNFHRJ-XJKSGUPXSA-N
MW330.43 g/mol
LogP2.19
Rot. Bonds4

About cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone

cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone (PubChem CID 97024600) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone
PubChem CID97024600
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namecyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H26N2O3/c1-13-12-21(19(22)15-3-4-15)7-6-16(13)20-11-14-2-5-17-18(10-14)24-9-8-23-17/h2,5,10,13,15-16,20H,3-4,6-9,11-12H2,1H3/t13-,16+/m0/s1
InChIKeyOYVLUULHQNFHRJ-XJKSGUPXSA-N
XLogP2.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[(3R,4S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-ethylpiperidin-1-yl]methanone
CID 97097463
[(3S,4R)-4-[(4-chloro-3-fluorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513568
cyclopropyl-[(3R,4R)-4-[(4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]methanone
CID 97024595
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115716425
cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone
CID 96513611
cyclopropyl-[(3R,4R)-4-[(3-ethoxy-4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]methanone
CID 97029688
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide
CID 43766812
1-[(3R,4S)-4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093546
cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone
CID 96513650
cyclopropyl-[4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone
CID 71927472
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]acetamide
CID 73139103
1-[(3R,4R)-4-[(4-bromophenyl)methylamino]-3-methylpiperidin-1-yl]propan-1-one
CID 97025004

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone (CID 97024600) is cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone is C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc2c(c1)OCCO2.
What is the InChIKey of cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone?
The InChIKey is OYVLUULHQNFHRJ-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-12-21(19(22)15-3-4-15)7-6-16(13)20-11-14-2-5-17-18(10-14)24-9-8-23-17/h2,5,10,13,15-16,20H,3-4,6-9,11-12H2,1H3/t13-,16+/m0/s1.
What are the key properties of cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone?
cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 97024600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).