2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide

C12H21N3O3 — CID 62654269

IUPAC2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C12H21N3O3/c1-2-5-13-12(18)14-11(17)8-15-6-3-10(9-16)4-7-15/h9-10H,2-8H2,1H3,(H2,13,14,17,18)
InChIKeyNXSLGGURBKVKSX-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.13
Rot. Bonds5

About 2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide

2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide (PubChem CID 62654269) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
PubChem CID62654269
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C12H21N3O3/c1-2-5-13-12(18)14-11(17)8-15-6-3-10(9-16)4-7-15/h9-10H,2-8H2,1H3,(H2,13,14,17,18)
InChIKeyNXSLGGURBKVKSX-UHFFFAOYSA-N
XLogP0.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 112628199
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 62064117
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 80546664
2-[(3R)-3-methylpiperidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8903288
2-(3,5-dimethylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 51170715
2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride
CID 119906348
2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62655401
1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046328
N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738071
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 103576948
2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370516
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 63595188

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide (CID 62654269) is 2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1CCC(C=O)CC1.
What is the InChIKey of 2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide?
The InChIKey is NXSLGGURBKVKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-2-5-13-12(18)14-11(17)8-15-6-3-10(9-16)4-7-15/h9-10H,2-8H2,1H3,(H2,13,14,17,18).
What are the key properties of 2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide?
2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide has a molecular weight of 255.32 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 62654269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).