2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide

C12H21N3O — CID 116644130

IUPAC2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H21N3O/c1-2-3-4-7-14-12(16)10-15-8-5-11(13)6-9-15/h11H,4-10,13H2,1H3,(H,14,16)
InChIKeyNHYCGXGADBZROE-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.06
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide

2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide (PubChem CID 116644130) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide
PubChem CID116644130
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H21N3O/c1-2-3-4-7-14-12(16)10-15-8-5-11(13)6-9-15/h11H,4-10,13H2,1H3,(H,14,16)
InChIKeyNHYCGXGADBZROE-UHFFFAOYSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminopiperidin-1-yl)hept-5-yn-2-one
CID 116593394
2-(4-aminopiperidin-1-yl)-N-(3,3-dimethylbutyl)acetamide;hydrochloride
CID 119908436
2-(4-aminopiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 79332156
2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 79328495
2-(4-aminopiperidin-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 79327739
2-cyclopropyl-N-pent-3-ynylacetamide
CID 104581149
2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 113450216
2-(4-aminopiperidin-1-yl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 79328337
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738482
2-(4-aminopiperidin-1-yl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 107220866
6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 79327645

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide (CID 116644130) is 2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide is CC#CCCNC(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide?
The InChIKey is NHYCGXGADBZROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-4-7-14-12(16)10-15-8-5-11(13)6-9-15/h11H,4-10,13H2,1H3,(H,14,16).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide?
2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide has a molecular weight of 223.32 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide is sourced from PubChem (CID 116644130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).