(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide

C18H23N3OS — CID 8720809

IUPAC(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C18H23N3OS/c1-15(18(22)19-16-6-3-2-4-7-16)21-11-9-20(10-12-21)14-17-8-5-13-23-17/h2-8,13,15H,9-12,14H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyLUFIEVDDXBVHGE-OAHLLOKOSA-N
MW329.47 g/mol
LogP2.89
Rot. Bonds5

About (2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide

(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 8720809) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
PubChem CID8720809
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C18H23N3OS/c1-15(18(22)19-16-6-3-2-4-7-16)21-11-9-20(10-12-21)14-17-8-5-13-23-17/h2-8,13,15H,9-12,14H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyLUFIEVDDXBVHGE-OAHLLOKOSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8834711
(2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720791
(2R)-N-(4-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720773
(2R)-N-cyclopropyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720757
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84822086
(2R)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8720823
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 30638684
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 30956228
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78808512
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730

Frequently Asked Questions

What is the IUPAC name of (2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide (CID 8720809) is (2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide is C[C@H](C(=O)Nc1ccccc1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of (2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is LUFIEVDDXBVHGE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-15(18(22)19-16-6-3-2-4-7-16)21-11-9-20(10-12-21)14-17-8-5-13-23-17/h2-8,13,15H,9-12,14H2,1H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 329.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 8720809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).