(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide

C16H25N3O2 — CID 25340776

IUPAC(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C16H25N3O2/c1-12(2)17-16(21)13(3)18-8-10-19(11-9-18)14-6-4-5-7-15(14)20/h4-7,12-13,20H,8-11H2,1-3H3,(H,17,21)/t13-/m0/s1
InChIKeyRJBQKSYHCJDCPI-ZDUSSCGKSA-N
MW291.40 g/mol
LogP1.43
Rot. Bonds4

About (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide

(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 25340776) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID25340776
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C16H25N3O2/c1-12(2)17-16(21)13(3)18-8-10-19(11-9-18)14-6-4-5-7-15(14)20/h4-7,12-13,20H,8-11H2,1-3H3,(H,17,21)/t13-/m0/s1
InChIKeyRJBQKSYHCJDCPI-ZDUSSCGKSA-N
XLogP1.43
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432613
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630
N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide
CID 155975244
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432670
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 17450172
(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2654878
(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
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 46744278
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78698744
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9432648

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide (CID 25340776) is (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@H](C)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is RJBQKSYHCJDCPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)17-16(21)13(3)18-8-10-19(11-9-18)14-6-4-5-7-15(14)20/h4-7,12-13,20H,8-11H2,1-3H3,(H,17,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 291.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 25340776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).