N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide

C17H20N4O3 — CID 90493851

IUPACN-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C17H20N4O3/c22-17(19-14-1-2-15-16(9-14)24-12-23-15)21-6-3-13(4-7-21)10-20-8-5-18-11-20/h1-2,5,8-9,11,13H,3-4,6-7,10,12H2,(H,19,22)
InChIKeyIEYJZNTVSWGGNB-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.56
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 90493851) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID90493851
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C17H20N4O3/c22-17(19-14-1-2-15-16(9-14)24-12-23-15)21-6-3-13(4-7-21)10-20-8-5-18-11-20/h1-2,5,8-9,11,13H,3-4,6-7,10,12H2,(H,19,22)
InChIKeyIEYJZNTVSWGGNB-UHFFFAOYSA-N
XLogP2.56
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide 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

N-(1,3-benzodioxol-5-yl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494305
4-[[4-(aminomethyl)triazol-1-yl]methyl]-N-(1,3-benzodioxol-5-yl)piperidine-1-carboxamide
CID 31004466
N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 71800885
N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
CID 46991994
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
CID 71801121
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide
CID 6625961
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
N-(1,3-benzodioxol-5-yl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 970148
N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286582
N-(1,3-benzodioxol-5-yl)-4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 121115047
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide (CID 90493851) is N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide is O=C(Nc1ccc2c(c1)OCO2)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is IEYJZNTVSWGGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-17(19-14-1-2-15-16(9-14)24-12-23-15)21-6-3-13(4-7-21)10-20-8-5-18-11-20/h1-2,5,8-9,11,13H,3-4,6-7,10,12H2,(H,19,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 90493851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).