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

C18H29N3O2 — CID 17445171

IUPACN-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(C(C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-14(17(22)19-18(2,3)4)20-10-12-21(13-11-20)15-8-6-7-9-16(15)23-5/h6-9,14H,10-13H2,1-5H3,(H,19,22)
InChIKeyDYPQPHWVPJXXIF-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.12
Rot. Bonds4

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

N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 17445171) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID17445171
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(C(C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-14(17(22)19-18(2,3)4)20-10-12-21(13-11-20)15-8-6-7-9-16(15)23-5/h6-9,14H,10-13H2,1-5H3,(H,19,22)
InChIKeyDYPQPHWVPJXXIF-UHFFFAOYSA-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

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432613
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18094346
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
(2R)-N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 92984615
(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249385
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 41123999
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 2442399
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249455
N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46054199
(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249441

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 17445171) is N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1N1CCN(C(C)C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is DYPQPHWVPJXXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(17(22)19-18(2,3)4)20-10-12-21(13-11-20)15-8-6-7-9-16(15)23-5/h6-9,14H,10-13H2,1-5H3,(H,19,22).
What are the key properties of N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
N-tert-butyl-2-[4-(2-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 N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 17445171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).