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

C22H25N3OS — CID 8720791

IUPAC(2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H25N3OS/c1-17(25-12-10-24(11-13-25)16-21-7-4-14-27-21)22(26)23-20-9-8-18-5-2-3-6-19(18)15-20/h2-9,14-15,17H,10-13,16H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyPXQGCSCCDVKCMS-QGZVFWFLSA-N
MW379.53 g/mol
LogP4.05
Rot. Bonds5

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

(2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 8720791) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is (2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
PubChem CID8720791
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name(2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H25N3OS/c1-17(25-12-10-24(11-13-25)16-21-7-4-14-27-21)22(26)23-20-9-8-18-5-2-3-6-19(18)15-20/h2-9,14-15,17H,10-13,16H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyPXQGCSCCDVKCMS-QGZVFWFLSA-N
XLogP4.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720809
(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8834711
(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
(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 30638684
(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
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-ylpropanamide
CID 2108911
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 55432574
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638

Frequently Asked Questions

What is the IUPAC name of (2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide (CID 8720791) is (2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide is C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of (2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is PXQGCSCCDVKCMS-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-17(25-12-10-24(11-13-25)16-21-7-4-14-27-21)22(26)23-20-9-8-18-5-2-3-6-19(18)15-20/h2-9,14-15,17H,10-13,16H2,1H3,(H,23,26)/t17-/m1/s1.
What are the key properties of (2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
(2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 379.53 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 8720791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).