(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

C18H29N3O2 — CID 9461848

IUPAC(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN([C@@H](C)C(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-14(17(22)19-18(2,3)4)20-10-12-21(13-11-20)15-6-8-16(23-5)9-7-15/h6-9,14H,10-13H2,1-5H3,(H,19,22)/t14-/m0/s1
InChIKeyQURDRNQIATUZPU-AWEZNQCLSA-N
MW319.45 g/mol
LogP2.12
Rot. Bonds4

About (2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 9461848) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID9461848
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN([C@@H](C)C(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-14(17(22)19-18(2,3)4)20-10-12-21(13-11-20)15-6-8-16(23-5)9-7-15/h6-9,14H,10-13H2,1-5H3,(H,19,22)/t14-/m0/s1
InChIKeyQURDRNQIATUZPU-AWEZNQCLSA-N
XLogP2.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461849
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46162037
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
(2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide
CID 52507184
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
N-[(2-methoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 51242875
N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093958
(2R)-N-[(2-methoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461984
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (CID 9461848) is (2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccc(N2CCN([C@@H](C)C(=O)NC(C)(C)C)CC2)cc1.
What is the InChIKey of (2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is QURDRNQIATUZPU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(17(22)19-18(2,3)4)20-10-12-21(13-11-20)15-6-8-16(23-5)9-7-15/h6-9,14H,10-13H2,1-5H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9461848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).