(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide

C18H29N3O — CID 40809510

IUPAC(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
SMILESC[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H29N3O/c1-14(17(22)20-18(2,3)4)19-15-8-10-16(11-9-15)21-12-6-5-7-13-21/h8-11,14,19H,5-7,12-13H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyPRMYDDABRWONAV-CQSZACIVSA-N
MW303.45 g/mol
LogP3.39
Rot. Bonds4

About (2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide

(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide (PubChem CID 40809510) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
PubChem CID40809510
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
SMILESC[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H29N3O/c1-14(17(22)20-18(2,3)4)19-15-8-10-16(11-9-15)21-12-6-5-7-13-21/h8-11,14,19H,5-7,12-13H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyPRMYDDABRWONAV-CQSZACIVSA-N
XLogP3.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809509
N-ethyl-2-(4-piperidin-1-ylanilino)propanamide
CID 60673103
2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 134062601
2-(4-pyrrolidin-1-ylanilino)propanoic acid
CID 63179408
N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60676702
N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60720263
(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 17423599
(2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 40809511
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-piperidin-1-ylanilino)propanamide
CID 40809505
(2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
CID 25389306

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide (CID 40809510) is (2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide is C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide?
The InChIKey is PRMYDDABRWONAV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(17(22)20-18(2,3)4)19-15-8-10-16(11-9-15)21-12-6-5-7-13-21/h8-11,14,19H,5-7,12-13H2,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide?
(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide has a molecular weight of 303.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide is sourced from PubChem (CID 40809510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).