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

C12H25N3O — CID 102736096

IUPACN-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(CCCCN)CC1
InChIInChI=1S/C12H25N3O/c1-11(16)14-10-12-4-8-15(9-5-12)7-3-2-6-13/h12H,2-10,13H2,1H3,(H,14,16)
InChIKeyQTCLJBNULIEQDZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds6

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

N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102736096) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
PubChem CID102736096
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(CCCCN)CC1
InChIInChI=1S/C12H25N3O/c1-11(16)14-10-12-4-8-15(9-5-12)7-3-2-6-13/h12H,2-10,13H2,1H3,(H,14,16)
InChIKeyQTCLJBNULIEQDZ-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
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-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide
CID 102736688
N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide
CID 102737013
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770
N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
CID 51116338
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide
CID 102736166
4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride
CID 119898914
N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
CID 102736385
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide (CID 102736096) is N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(CCCCN)CC1.
What is the InChIKey of N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is QTCLJBNULIEQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(16)14-10-12-4-8-15(9-5-12)7-3-2-6-13/h12H,2-10,13H2,1H3,(H,14,16).
What are the key properties of N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).