N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide

C13H25N3O — CID 102736375

IUPACN-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCN(C2CCNCC2)CC1
InChIInChI=1S/C13H25N3O/c1-11(17)15-10-12-4-8-16(9-5-12)13-2-6-14-7-3-13/h12-14H,2-10H2,1H3,(H,15,17)
InChIKeyIFFYTGXYEAEHEY-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.59
Rot. Bonds3

About N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide

N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 102736375) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide
PubChem CID102736375
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCN(C2CCNCC2)CC1
InChIInChI=1S/C13H25N3O/c1-11(17)15-10-12-4-8-16(9-5-12)13-2-6-14-7-3-13/h12-14H,2-10H2,1H3,(H,15,17)
InChIKeyIFFYTGXYEAEHEY-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
CID 102736385
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 63876316
2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid
CID 68693446
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
CID 16895618
N-[[1-(3-methylpyrrolidine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102780192
tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate
CID 53256365
1-piperidin-4-yl-4-propylpiperidine
CID 62199816
ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 145305613
N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
CID 102736501

Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide (CID 102736375) is N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide is CC(=O)NCC1CCN(C2CCNCC2)CC1.
What is the InChIKey of N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is IFFYTGXYEAEHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(17)15-10-12-4-8-16(9-5-12)13-2-6-14-7-3-13/h12-14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide?
N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 102736375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).