N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide

C20H33N3O2 — CID 120888691

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide
SMILESCOCC1(CNC(=O)c2ccc(N(C)CC(C)C)cc2)CCNCC1
InChIInChI=1S/C20H33N3O2/c1-16(2)13-23(3)18-7-5-17(6-8-18)19(24)22-14-20(15-25-4)9-11-21-12-10-20/h5-8,16,21H,9-15H2,1-4H3,(H,22,24)
InChIKeyMUKDEALATCVURP-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.52
Rot. Bonds8

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide (PubChem CID 120888691) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide
PubChem CID120888691
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide
SMILESCOCC1(CNC(=O)c2ccc(N(C)CC(C)C)cc2)CCNCC1
InChIInChI=1S/C20H33N3O2/c1-16(2)13-23(3)18-7-5-17(6-8-18)19(24)22-14-20(15-25-4)9-11-21-12-10-20/h5-8,16,21H,9-15H2,1-4H3,(H,22,24)
InChIKeyMUKDEALATCVURP-UHFFFAOYSA-N
XLogP2.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 120889360
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887645
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide;hydrochloride
CID 120887634
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120888912
4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120889912
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120890902
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120887142
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 120887911
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 120890389

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide (CID 120888691) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide is COCC1(CNC(=O)c2ccc(N(C)CC(C)C)cc2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide?
The InChIKey is MUKDEALATCVURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16(2)13-23(3)18-7-5-17(6-8-18)19(24)22-14-20(15-25-4)9-11-21-12-10-20/h5-8,16,21H,9-15H2,1-4H3,(H,22,24).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide has a molecular weight of 347.50 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide is sourced from PubChem (CID 120888691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).