N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide

C17H24N2O3 — CID 112502468

IUPACN-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide
SMILESCC1CCN(C(C)CNC(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C17H24N2O3/c1-12-5-7-19(8-6-12)13(2)10-18-17(20)14-3-4-15-16(9-14)22-11-21-15/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,18,20)
InChIKeyMEZZCMTZEXPKGA-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.27
Rot. Bonds4

About N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide

N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 112502468) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide
PubChem CID112502468
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide
SMILESCC1CCN(C(C)CNC(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C17H24N2O3/c1-12-5-7-19(8-6-12)13(2)10-18-17(20)14-3-4-15-16(9-14)22-11-21-15/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,18,20)
InChIKeyMEZZCMTZEXPKGA-UHFFFAOYSA-N
XLogP2.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 51126883
2-[(1,3-benzodioxole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220302
N-(2-hydroxy-4-methylpentyl)-1,3-benzodioxole-5-carboxamide
CID 103771408
N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide
CID 120651877
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
3-[(1,3-benzodioxole-5-carbonylamino)methyl]pentanoic acid
CID 81064781
3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 110620744
2-[(1,3-benzodioxole-5-carbonylamino)methyl]butanoic acid
CID 65217974
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7285809
N-[2-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 47093414
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7496489

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide (CID 112502468) is N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide is CC1CCN(C(C)CNC(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MEZZCMTZEXPKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-5-7-19(8-6-12)13(2)10-18-17(20)14-3-4-15-16(9-14)22-11-21-15/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 112502468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).