[3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid

C18H27N3O5 — CID 138621848

IUPAC[3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid
SMILESO=C(O)NCC(O)CNC1CCCN(CC2COc3ccccc3O2)C1
InChIInChI=1S/C18H27N3O5/c22-14(9-20-18(23)24)8-19-13-4-3-7-21(10-13)11-15-12-25-16-5-1-2-6-17(16)26-15/h1-2,5-6,13-15,19-20,22H,3-4,7-12H2,(H,23,24)
InChIKeyZPGMQIYFUZANGP-UHFFFAOYSA-N
MW365.43 g/mol
LogP0.51
Rot. Bonds7

About [3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid

[3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid (PubChem CID 138621848) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is [3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid.

Molecular Properties

Compound Name[3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid
PubChem CID138621848
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name[3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid
SMILESO=C(O)NCC(O)CNC1CCCN(CC2COc3ccccc3O2)C1
InChIInChI=1S/C18H27N3O5/c22-14(9-20-18(23)24)8-19-13-4-3-7-21(10-13)11-15-12-25-16-5-1-2-6-17(16)26-15/h1-2,5-6,13-15,19-20,22H,3-4,7-12H2,(H,23,24)
InChIKeyZPGMQIYFUZANGP-UHFFFAOYSA-N
XLogP0.51
TPSA103.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamate
CID 138621934
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-3-(oxan-4-yl)urea
CID 138621978
4-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-3-phenylbutanamide
CID 138621858
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine
CID 25174673
3-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]pyridine-2,3-diamine
CID 138621719
ethyl N-[1-[[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]amino]-1-oxo-2-phenylpropan-2-yl]carbamate
CID 138622010
(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,N-dimethylpiperidin-3-amine
CID 159117101
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
tert-butyl N-[1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]carbamoyl]cyclopropyl]carbamate
CID 138621801
N-(5-chloro-2-nitrophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-amine
CID 138621594
1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol
CID 18838021
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621554

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid?
The IUPAC name of [3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid (CID 138621848) is [3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid.
What is the SMILES notation for [3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid?
The canonical SMILES for [3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid is O=C(O)NCC(O)CNC1CCCN(CC2COc3ccccc3O2)C1.
What is the InChIKey of [3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid?
The InChIKey is ZPGMQIYFUZANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c22-14(9-20-18(23)24)8-19-13-4-3-7-21(10-13)11-15-12-25-16-5-1-2-6-17(16)26-15/h1-2,5-6,13-15,19-20,22H,3-4,7-12H2,(H,23,24).
What are the key properties of [3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid?
[3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid has a molecular weight of 365.43 g/mol, XLogP of 0.51, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]amino]-2-hydroxypropyl]carbamic acid is sourced from PubChem (CID 138621848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).