N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide

C10H17N3O3 — CID 62655138

IUPACN-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide
SMILESNC(=O)NC(=O)CCN1CCCC(C=O)C1
InChIInChI=1S/C10H17N3O3/c11-10(16)12-9(15)3-5-13-4-1-2-8(6-13)7-14/h7-8H,1-6H2,(H3,11,12,15,16)
InChIKeyFJLFEWVSAHJPIP-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.52
Rot. Bonds4

About N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide

N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide (PubChem CID 62655138) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide
PubChem CID62655138
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide
SMILESNC(=O)NC(=O)CCN1CCCC(C=O)C1
InChIInChI=1S/C10H17N3O3/c11-10(16)12-9(15)3-5-13-4-1-2-8(6-13)7-14/h7-8H,1-6H2,(H3,11,12,15,16)
InChIKeyFJLFEWVSAHJPIP-UHFFFAOYSA-N
XLogP-0.52
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.52
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

3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 62654927
1-(5-hydroxypentyl)piperidine-3-carbaldehyde
CID 62654377
1-decylpiperidine-3-carbaldehyde
CID 55195177
1-(3-fluoropropyl)piperidine-3-carbaldehyde
CID 81114403
2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid
CID 64616484
3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid
CID 43522354
N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78942125
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385852
2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62655482
1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde
CID 62654368
3-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-carbamoylpropanamide
CID 102682995
1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid
CID 43440872

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide?
The IUPAC name of N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide (CID 62655138) is N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide?
The canonical SMILES for N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide is NC(=O)NC(=O)CCN1CCCC(C=O)C1.
What is the InChIKey of N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide?
The InChIKey is FJLFEWVSAHJPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c11-10(16)12-9(15)3-5-13-4-1-2-8(6-13)7-14/h7-8H,1-6H2,(H3,11,12,15,16).
What are the key properties of N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide?
N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide has a molecular weight of 227.26 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide is sourced from PubChem (CID 62655138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).