2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

C28H54N6O2 — CID 142390323

IUPAC2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESCC(C)NC(=O)CN1CCC(CN2CCCCC2)CC1.NC(=O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H31N3O.C12H23N3O/c1-14(2)17-16(20)13-19-10-6-15(7-11-19)12-18-8-4-3-5-9-18;13-12(16)10-14-8-4-11(5-9-14)15-6-2-1-3-7-15/h14-15H,3-13H2,1-2H3,(H,17,20);11H,1-10H2,(H2,13,16)
InChIKeyWAJBEIJUIWHAJU-UHFFFAOYSA-N
MW506.78 g/mol
LogP2.13
Rot. Bonds8

About 2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (PubChem CID 142390323) has the molecular formula C28H54N6O2 and a molecular weight of 506.78 g/mol. Its IUPAC name is 2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
PubChem CID142390323
Molecular FormulaC28H54N6O2
Molecular Weight506.78 g/mol
Exact Mass506.43
IUPAC Name2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESCC(C)NC(=O)CN1CCC(CN2CCCCC2)CC1.NC(=O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H31N3O.C12H23N3O/c1-14(2)17-16(20)13-19-10-6-15(7-11-19)12-18-8-4-3-5-9-18;13-12(16)10-14-8-4-11(5-9-14)15-6-2-1-3-7-15/h14-15H,3-13H2,1-2H3,(H,17,20);11H,1-10H2,(H2,13,16)
InChIKeyWAJBEIJUIWHAJU-UHFFFAOYSA-N
XLogP2.13
TPSA85.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.78
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95354060
2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95301456
ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 142390398
2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 121200085
N-propan-2-yl-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495300
2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylacetamide
CID 20770430
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
N-(2-aminoethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 63010167
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79519722
methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one
CID 58870209
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The IUPAC name of 2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (CID 142390323) is 2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for 2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The canonical SMILES for 2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is CC(C)NC(=O)CN1CCC(CN2CCCCC2)CC1.NC(=O)CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The InChIKey is WAJBEIJUIWHAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.C12H23N3O/c1-14(2)17-16(20)13-19-10-6-15(7-11-19)12-18-8-4-3-5-9-18;13-12(16)10-14-8-4-11(5-9-14)15-6-2-1-3-7-15/h14-15H,3-13H2,1-2H3,(H,17,20);11H,1-10H2,(H2,13,16).
What are the key properties of 2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide has a molecular weight of 506.78 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 142390323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).