N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide

C19H26N2O4 — CID 91812988

IUPACN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC1CCN(C2CCOCC2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H26N2O4/c22-19(15-1-2-17-18(11-15)25-13-24-17)20-12-14-3-7-21(8-4-14)16-5-9-23-10-6-16/h1-2,11,14,16H,3-10,12-13H2,(H,20,22)
InChIKeyIKAZNMRAWRPYHB-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.04
Rot. Bonds4

About N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 91812988) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID91812988
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC1CCN(C2CCOCC2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H26N2O4/c22-19(15-1-2-17-18(11-15)25-13-24-17)20-12-14-3-7-21(8-4-14)16-5-9-23-10-6-16/h1-2,11,14,16H,3-10,12-13H2,(H,20,22)
InChIKeyIKAZNMRAWRPYHB-UHFFFAOYSA-N
XLogP2.04
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 106123022
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 91812998
N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39212067
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 38442601
N-[[(3R)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 25287935
N-[[(2R,4S,5S)-5-[(4-benzylpiperidin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 40779692
N-[[2-(bromomethyl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 114317356
1,3-benzodioxol-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80546008
N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52508647
N-[1-(oxan-4-yl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 71810180
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7285809

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide (CID 91812988) is N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide is O=C(NCC1CCN(C2CCOCC2)CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is IKAZNMRAWRPYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-19(15-1-2-17-18(11-15)25-13-24-17)20-12-14-3-7-21(8-4-14)16-5-9-23-10-6-16/h1-2,11,14,16H,3-10,12-13H2,(H,20,22).
What are the key properties of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 91812988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).