(2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

C19H30N4O2S — CID 30740454

IUPAC(2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESC[C@@H](C(=O)NCc1cccs1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H30N4O2S/c1-16(19(25)20-14-17-6-5-13-26-17)22-11-9-21(10-12-22)15-18(24)23-7-3-2-4-8-23/h5-6,13,16H,2-4,7-12,14-15H2,1H3,(H,20,25)/t16-/m0/s1
InChIKeyBJPKLETYVQWGKS-INIZCTEOSA-N
MW378.54 g/mol
LogP1.38
Rot. Bonds6

About (2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

(2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 30740454) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is (2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID30740454
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name(2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESC[C@@H](C(=O)NCc1cccs1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H30N4O2S/c1-16(19(25)20-14-17-6-5-13-26-17)22-11-9-21(10-12-22)15-18(24)23-7-3-2-4-8-23/h5-6,13,16H,2-4,7-12,14-15H2,1H3,(H,20,25)/t16-/m0/s1
InChIKeyBJPKLETYVQWGKS-INIZCTEOSA-N
XLogP1.38
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 46631275
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)propanamide
CID 30741193
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
(2S)-2-(4-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27070191
(2R)-2-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 9444129
(2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27104700
4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 86912732
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78808512
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9460133
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
4-(azepan-1-yl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 3981931

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 30740454) is (2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide is C[C@@H](C(=O)NCc1cccs1)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of (2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is BJPKLETYVQWGKS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-16(19(25)20-14-17-6-5-13-26-17)22-11-9-21(10-12-22)15-18(24)23-7-3-2-4-8-23/h5-6,13,16H,2-4,7-12,14-15H2,1H3,(H,20,25)/t16-/m0/s1.
What are the key properties of (2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
(2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 378.54 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 30740454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).