(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide

C17H27N3O2 — CID 9432613

IUPAC(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(C)(C)C)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H27N3O2/c1-13(16(22)18-17(2,3)4)19-9-11-20(12-10-19)14-7-5-6-8-15(14)21/h5-8,13,21H,9-12H2,1-4H3,(H,18,22)/t13-/m0/s1
InChIKeyMCAHRLIZCRJDHX-ZDUSSCGKSA-N
MW305.42 g/mol
LogP1.82
Rot. Bonds3

About (2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide

(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 9432613) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID9432613
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(C)(C)C)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H27N3O2/c1-13(16(22)18-17(2,3)4)19-9-11-20(12-10-19)14-7-5-6-8-15(14)21/h5-8,13,21H,9-12H2,1-4H3,(H,18,22)/t13-/m0/s1
InChIKeyMCAHRLIZCRJDHX-ZDUSSCGKSA-N
XLogP1.82
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18094346
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 17450172
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432670
(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2654878
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78698744
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9432729
(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2088438
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 86918779

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (CID 9432613) is (2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)NC(C)(C)C)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of (2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is MCAHRLIZCRJDHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(16(22)18-17(2,3)4)19-9-11-20(12-10-19)14-7-5-6-8-15(14)21/h5-8,13,21H,9-12H2,1-4H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9432613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).