N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

C19H31N3O2 — CID 30986083

IUPACN-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-16(2)17(3)20-19(23)15-22-11-9-21(10-12-22)13-14-24-18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyRCOHKIOWBJUDGB-QGZVFWFLSA-N
MW333.48 g/mol
LogP1.84
Rot. Bonds8

About N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (PubChem CID 30986083) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
PubChem CID30986083
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-16(2)17(3)20-19(23)15-22-11-9-21(10-12-22)13-14-24-18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyRCOHKIOWBJUDGB-QGZVFWFLSA-N
XLogP1.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide
CID 134045424
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259822
propan-2-yl 4-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzoate
CID 9259667
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 9348561
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 39746892
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8554158
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (CID 30986083) is N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is CC(C)[C@@H](C)NC(=O)CN1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The InChIKey is RCOHKIOWBJUDGB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16(2)17(3)20-19(23)15-22-11-9-21(10-12-22)13-14-24-18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3,(H,20,23)/t17-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30986083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).