N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide

C20H33N3O2 — CID 91920903

IUPACN-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCN(Cc2ccccc2OC(C)C)C[C@H]1N(C)C
InChIInChI=1S/C20H33N3O2/c1-15(2)25-20-9-7-6-8-18(20)13-23-11-10-17(12-21-16(3)24)19(14-23)22(4)5/h6-9,15,17,19H,10-14H2,1-5H3,(H,21,24)/t17-,19-/m1/s1
InChIKeyOAWXHBQPCACBBJ-IEBWSBKVSA-N
MW347.50 g/mol
LogP2.36
Rot. Bonds7

About N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide

N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 91920903) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID91920903
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCN(Cc2ccccc2OC(C)C)C[C@H]1N(C)C
InChIInChI=1S/C20H33N3O2/c1-15(2)25-20-9-7-6-8-18(20)13-23-11-10-17(12-21-16(3)24)19(14-23)22(4)5/h6-9,15,17,19H,10-14H2,1-5H3,(H,21,24)/t17-,19-/m1/s1
InChIKeyOAWXHBQPCACBBJ-IEBWSBKVSA-N
XLogP2.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95187363
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
(2R)-2-hydroxy-2-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489722
(2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide
CID 124980902
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860877
N-[[(3S,4R)-1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide
CID 91920913
(2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone
CID 55916474
(3S,4S)-4-methyl-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 122120797
methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide (CID 91920903) is N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide is CC(=O)NC[C@H]1CCN(Cc2ccccc2OC(C)C)C[C@H]1N(C)C.
What is the InChIKey of N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is OAWXHBQPCACBBJ-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-15(2)25-20-9-7-6-8-18(20)13-23-11-10-17(12-21-16(3)24)19(14-23)22(4)5/h6-9,15,17,19H,10-14H2,1-5H3,(H,21,24)/t17-,19-/m1/s1.
What are the key properties of N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 91920903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).