(2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide

C19H29N3O3 — CID 124980902

IUPAC(2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide
SMILESCC(=O)N1CCN(Cc2ccccc2OC(C)C)C[C@H]1C(=O)N(C)C
InChIInChI=1S/C19H29N3O3/c1-14(2)25-18-9-7-6-8-16(18)12-21-10-11-22(15(3)23)17(13-21)19(24)20(4)5/h6-9,14,17H,10-13H2,1-5H3/t17-/m0/s1
InChIKeyMMGOYSIWKIUYLW-KRWDZBQOSA-N
MW347.46 g/mol
LogP1.59
Rot. Bonds5

About (2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide

(2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide (PubChem CID 124980902) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide
PubChem CID124980902
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide
SMILESCC(=O)N1CCN(Cc2ccccc2OC(C)C)C[C@H]1C(=O)N(C)C
InChIInChI=1S/C19H29N3O3/c1-14(2)25-18-9-7-6-8-16(18)12-21-10-11-22(15(3)23)17(13-21)19(24)20(4)5/h6-9,14,17H,10-13H2,1-5H3/t17-/m0/s1
InChIKeyMMGOYSIWKIUYLW-KRWDZBQOSA-N
XLogP1.59
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
N-[[(3S,4R)-3-(dimethylamino)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 91920903
1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56822095
N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95187363
(3S,4S)-4-methyl-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 122120797
(2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide
CID 124972311
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
(2R)-2-hydroxy-2-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489722
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110251738
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909083

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide (CID 124980902) is (2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide is CC(=O)N1CCN(Cc2ccccc2OC(C)C)C[C@H]1C(=O)N(C)C.
What is the InChIKey of (2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide?
The InChIKey is MMGOYSIWKIUYLW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(2)25-18-9-7-6-8-16(18)12-21-10-11-22(15(3)23)17(13-21)19(24)20(4)5/h6-9,14,17H,10-13H2,1-5H3/t17-/m0/s1.
What are the key properties of (2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide?
(2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 124980902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).