N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide

C27H36N4O3 — CID 42848309

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide
SMILESCN1CCC(N(C)C(=O)c2ccccc2N2CCC(NC(=O)COc3ccccc3)CC2)CC1
InChIInChI=1S/C27H36N4O3/c1-29-16-14-22(15-17-29)30(2)27(33)24-10-6-7-11-25(24)31-18-12-21(13-19-31)28-26(32)20-34-23-8-4-3-5-9-23/h3-11,21-22H,12-20H2,1-2H3,(H,28,32)
InChIKeyNNWSVRWCILEOJT-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.02
Rot. Bonds7

About N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide

N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide (PubChem CID 42848309) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide
PubChem CID42848309
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide
SMILESCN1CCC(N(C)C(=O)c2ccccc2N2CCC(NC(=O)COc3ccccc3)CC2)CC1
InChIInChI=1S/C27H36N4O3/c1-29-16-14-22(15-17-29)30(2)27(33)24-10-6-7-11-25(24)31-18-12-21(13-19-31)28-26(32)20-34-23-8-4-3-5-9-23/h3-11,21-22H,12-20H2,1-2H3,(H,28,32)
InChIKeyNNWSVRWCILEOJT-UHFFFAOYSA-N
XLogP3.02
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide
CID 46038163
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide
CID 46037468
N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-2-phenoxyacetamide
CID 46038010
2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide
CID 24719023
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037614
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46038316
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46038313
N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038655
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide (CID 42848309) is N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide is CN1CCC(N(C)C(=O)c2ccccc2N2CCC(NC(=O)COc3ccccc3)CC2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide?
The InChIKey is NNWSVRWCILEOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-29-16-14-22(15-17-29)30(2)27(33)24-10-6-7-11-25(24)31-18-12-21(13-19-31)28-26(32)20-34-23-8-4-3-5-9-23/h3-11,21-22H,12-20H2,1-2H3,(H,28,32).
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide?
N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide has a molecular weight of 464.61 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide is sourced from PubChem (CID 42848309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).