N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide

C16H33N3O — CID 63847249

IUPACN-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCNCC1CCCN(CC(=O)NC(C)C(C)C)C1
InChIInChI=1S/C16H33N3O/c1-5-8-17-10-15-7-6-9-19(11-15)12-16(20)18-14(4)13(2)3/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyPWZGYCGIHJKXNA-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.86
Rot. Bonds8

About N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide

N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 63847249) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
PubChem CID63847249
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCNCC1CCCN(CC(=O)NC(C)C(C)C)C1
InChIInChI=1S/C16H33N3O/c1-5-8-17-10-15-7-6-9-19(11-15)12-16(20)18-14(4)13(2)3/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyPWZGYCGIHJKXNA-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63847459
N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849503
2-(3-aminopiperidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61297413
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102977545
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide
CID 63848807
N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63849022
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide
CID 63847790
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
CID 63890612
N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 100836620
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62582031
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide (CID 63847249) is N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide is CCCNCC1CCCN(CC(=O)NC(C)C(C)C)C1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is PWZGYCGIHJKXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-8-17-10-15-7-6-9-19(11-15)12-16(20)18-14(4)13(2)3/h13-15,17H,5-12H2,1-4H3,(H,18,20).
What are the key properties of N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide?
N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 283.46 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 63847249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).