(2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide

C19H25N3OS — CID 40809511

IUPAC(2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
SMILESC[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C19H25N3OS/c1-15(19(23)20-14-18-6-5-13-24-18)21-16-7-9-17(10-8-16)22-11-3-2-4-12-22/h5-10,13,15,21H,2-4,11-12,14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyUXABKIVQBUVXLN-HNNXBMFYSA-N
MW343.50 g/mol
LogP3.86
Rot. Bonds6

About (2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide

(2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 40809511) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is (2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID40809511
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name(2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
SMILESC[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C19H25N3OS/c1-15(19(23)20-14-18-6-5-13-24-18)21-16-7-9-17(10-8-16)22-11-3-2-4-12-22/h5-10,13,15,21H,2-4,11-12,14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyUXABKIVQBUVXLN-HNNXBMFYSA-N
XLogP3.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 17423599
N-ethyl-2-(4-piperidin-1-ylanilino)propanamide
CID 60673103
N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60676702
N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60720263
ethyl-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8592055
(2S)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809509
(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809510
(2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide
CID 25411323
2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 134062601
(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 94821156
2-(4-pyrrolidin-1-ylanilino)propanoic acid
CID 63179408
(2S)-2-(4-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27070191

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide (CID 40809511) is (2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide is C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)NCc1cccs1.
What is the InChIKey of (2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is UXABKIVQBUVXLN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-15(19(23)20-14-18-6-5-13-24-18)21-16-7-9-17(10-8-16)22-11-3-2-4-12-22/h5-10,13,15,21H,2-4,11-12,14H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide?
(2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 343.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 40809511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).