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

C15H31N3O — CID 63849503

IUPACN-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCNCC1CCCN(CC(=O)NCC(C)C)C1
InChIInChI=1S/C15H31N3O/c1-4-7-16-10-14-6-5-8-18(11-14)12-15(19)17-9-13(2)3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyKWYDRLDGUORNPZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.47
Rot. Bonds8

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

N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 63849503) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
PubChem CID63849503
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCNCC1CCCN(CC(=O)NCC(C)C)C1
InChIInChI=1S/C15H31N3O/c1-4-7-16-10-14-6-5-8-18(11-14)12-15(19)17-9-13(2)3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyKWYDRLDGUORNPZ-UHFFFAOYSA-N
XLogP1.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.47
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

N-(2-methylpropyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 55173495
N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847249
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide
CID 63848807
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119915902
N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide
CID 49449909
N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63849022
2-[3-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119920243
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63849542
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 78930704
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
CID 63890612

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide (CID 63849503) is N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide is CCCNCC1CCCN(CC(=O)NCC(C)C)C1.
What is the InChIKey of N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is KWYDRLDGUORNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-7-16-10-14-6-5-8-18(11-14)12-15(19)17-9-13(2)3/h13-14,16H,4-12H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide?
N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 63849503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).