N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide

C21H32N2O2 — CID 91913506

IUPACN-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide
SMILESCC(C)CCN1CCCC(COc2ccccc2C(=O)NC2CC2)C1
InChIInChI=1S/C21H32N2O2/c1-16(2)11-13-23-12-5-6-17(14-23)15-25-20-8-4-3-7-19(20)21(24)22-18-9-10-18/h3-4,7-8,16-18H,5-6,9-15H2,1-2H3,(H,22,24)
InChIKeyKXQCLPARRBQCPB-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.72
Rot. Bonds8

About N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide

N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide (PubChem CID 91913506) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide
PubChem CID91913506
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide
SMILESCC(C)CCN1CCCC(COc2ccccc2C(=O)NC2CC2)C1
InChIInChI=1S/C21H32N2O2/c1-16(2)11-13-23-12-5-6-17(14-23)15-25-20-8-4-3-7-19(20)21(24)22-18-9-10-18/h3-4,7-8,16-18H,5-6,9-15H2,1-2H3,(H,22,24)
InChIKeyKXQCLPARRBQCPB-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 163339679
N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide
CID 91913476
2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-N-cyclopropylbenzamide
CID 56883556
methyl 2-[3-[(2-iodophenoxy)methyl]piperidin-1-yl]acetate
CID 165429412
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide
CID 3220910
2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid
CID 69153756
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5173361
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide
CID 78809424

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide (CID 91913506) is N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide is CC(C)CCN1CCCC(COc2ccccc2C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide?
The InChIKey is KXQCLPARRBQCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16(2)11-13-23-12-5-6-17(14-23)15-25-20-8-4-3-7-19(20)21(24)22-18-9-10-18/h3-4,7-8,16-18H,5-6,9-15H2,1-2H3,(H,22,24).
What are the key properties of N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide?
N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide has a molecular weight of 344.50 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 91913506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).