2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide

C14H25N3O3 — CID 62655482

IUPAC2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C14H25N3O3/c1-3-6-15-13(19)9-16(2)14(20)10-17-7-4-5-12(8-17)11-18/h11-12H,3-10H2,1-2H3,(H,15,19)
InChIKeyPDAWYGUUSKIWAX-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.12
Rot. Bonds7

About 2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide

2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide (PubChem CID 62655482) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
PubChem CID62655482
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C14H25N3O3/c1-3-6-15-13(19)9-16(2)14(20)10-17-7-4-5-12(8-17)11-18/h11-12H,3-10H2,1-2H3,(H,15,19)
InChIKeyPDAWYGUUSKIWAX-UHFFFAOYSA-N
XLogP-0.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62655686
N-methyl-2-[(3R)-3-methylpiperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 104975660
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 115969289
2-(3-aminoazetidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 65245071
N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 134031706
N-methyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 134055105
(2S)-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910417
N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 62660462
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62466919
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119916207
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 60690448
2-(3-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 55099876

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The IUPAC name of 2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide (CID 62655482) is 2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The canonical SMILES for 2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide is CCCNC(=O)CN(C)C(=O)CN1CCCC(C=O)C1.
What is the InChIKey of 2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The InChIKey is PDAWYGUUSKIWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-6-15-13(19)9-16(2)14(20)10-17-7-4-5-12(8-17)11-18/h11-12H,3-10H2,1-2H3,(H,15,19).
What are the key properties of 2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide?
2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide has a molecular weight of 283.37 g/mol, XLogP of -0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 62655482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).