(2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide

C18H24N4OS — CID 94809792

IUPAC(2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C18H24N4OS/c1-15(18(23)19-11-16-5-3-2-4-6-16)22-9-7-21(8-10-22)12-17-13-24-14-20-17/h2-6,13-15H,7-12H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyDPQREBFAXGCVPI-OAHLLOKOSA-N
MW344.48 g/mol
LogP1.97
Rot. Bonds6

About (2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide

(2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 94809792) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide
PubChem CID94809792
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C18H24N4OS/c1-15(18(23)19-11-16-5-3-2-4-6-16)22-9-7-21(8-10-22)12-17-13-24-14-20-17/h2-6,13-15H,7-12H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyDPQREBFAXGCVPI-OAHLLOKOSA-N
XLogP1.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113
(2R)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266116
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 47071729
(2S)-N-benzyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127696
2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide
CID 11793239
N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470639
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184
2-(4-benzylpiperazin-1-yl)propanehydrazide
CID 63569395
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide (CID 94809792) is (2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide is C[C@H](C(=O)NCc1ccccc1)N1CCN(Cc2cscn2)CC1.
What is the InChIKey of (2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is DPQREBFAXGCVPI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-15(18(23)19-11-16-5-3-2-4-6-16)22-9-7-21(8-10-22)12-17-13-24-14-20-17/h2-6,13-15H,7-12H2,1H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide?
(2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 344.48 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 94809792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).