2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide

C12H25N3O2 — CID 94209171

IUPAC2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCC[C@@H](CN)C1
InChIInChI=1S/C12H25N3O2/c1-17-7-3-5-14-12(16)10-15-6-2-4-11(8-13)9-15/h11H,2-10,13H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyNVUSXBPYOISZEO-NSHDSACASA-N
MW243.35 g/mol
LogP-0.19
Rot. Bonds7

About 2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide

2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 94209171) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID94209171
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCC[C@@H](CN)C1
InChIInChI=1S/C12H25N3O2/c1-17-7-3-5-14-12(16)10-15-6-2-4-11(8-13)9-15/h11H,2-10,13H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyNVUSXBPYOISZEO-NSHDSACASA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63849542
2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63848836
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
methyl 4-[[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 55030515
[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119915902
methyl 4-[[2-[3-(hydroxymethyl)piperidin-1-yl]acetyl]amino]butanoate
CID 60672200
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide (CID 94209171) is 2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCC[C@@H](CN)C1.
What is the InChIKey of 2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is NVUSXBPYOISZEO-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N3O2/c1-17-7-3-5-14-12(16)10-15-6-2-4-11(8-13)9-15/h11H,2-10,13H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 243.35 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 94209171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).