2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide

C22H37N3O — CID 131963012

IUPAC2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(NCCc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C22H37N3O/c1-5-13-24-21(26)17-25-15-11-20(12-16-25)23-14-10-18-6-8-19(9-7-18)22(2,3)4/h6-9,20,23H,5,10-17H2,1-4H3,(H,24,26)
InChIKeyQQHLIWCNOIVDNQ-UHFFFAOYSA-N
MW359.56 g/mol
LogP3.11
Rot. Bonds8

About 2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide

2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide (PubChem CID 131963012) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is 2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide
PubChem CID131963012
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC Name2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(NCCc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C22H37N3O/c1-5-13-24-21(26)17-25-15-11-20(12-16-25)23-14-10-18-6-8-19(9-7-18)22(2,3)4/h6-9,20,23H,5,10-17H2,1-4H3,(H,24,26)
InChIKeyQQHLIWCNOIVDNQ-UHFFFAOYSA-N
XLogP3.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[N'-[(4-tert-butylphenyl)methyl]-N-ethylcarbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide
CID 111978070
N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919792
4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
CID 39146511
3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide
CID 87037217
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
CID 119164761
N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921406
2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 38065184
4-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]phenol
CID 61239241
N-[2-(4-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 91843173
2-amino-2-(4-methylphenyl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
CID 120669746
N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738071
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide (CID 131963012) is 2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCC(NCCc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide?
The InChIKey is QQHLIWCNOIVDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O/c1-5-13-24-21(26)17-25-15-11-20(12-16-25)23-14-10-18-6-8-19(9-7-18)22(2,3)4/h6-9,20,23H,5,10-17H2,1-4H3,(H,24,26).
What are the key properties of 2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide?
2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide has a molecular weight of 359.56 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 131963012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).