N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide

C13H26N4O2 — CID 20736239

IUPACN-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
SMILESCC(=O)NCCCNC(=O)NCCN1CCCCC1
InChIInChI=1S/C13H26N4O2/c1-12(18)14-6-5-7-15-13(19)16-8-11-17-9-3-2-4-10-17/h2-11H2,1H3,(H,14,18)(H2,15,16,19)
InChIKeyYRWNSJJVZJKPSG-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.30
Rot. Bonds7

About N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide

N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide (PubChem CID 20736239) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
PubChem CID20736239
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
SMILESCC(=O)NCCCNC(=O)NCCN1CCCCC1
InChIInChI=1S/C13H26N4O2/c1-12(18)14-6-5-7-15-13(19)16-8-11-17-9-3-2-4-10-17/h2-11H2,1H3,(H,14,18)(H2,15,16,19)
InChIKeyYRWNSJJVZJKPSG-UHFFFAOYSA-N
XLogP0.30
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide
CID 47239682
N-[5-(azepan-1-yl)pentyl]acetamide
CID 110441166
1-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340
1-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoylamino)pentanoic acid
CID 104686613
N-[2-(1,4-diazepan-1-yl)ethyl]acetamide
CID 43162540
2-[4-(2-acetamidoethyl)-1,4-diazepan-1-yl]acetic acid
CID 62823632
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935
ethyl 2-(2-piperidin-1-ylethylcarbamoylamino)acetate
CID 60970318

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide?
The IUPAC name of N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide (CID 20736239) is N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide.
What is the SMILES notation for N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide?
The canonical SMILES for N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide is CC(=O)NCCCNC(=O)NCCN1CCCCC1.
What is the InChIKey of N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide?
The InChIKey is YRWNSJJVZJKPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-12(18)14-6-5-7-15-13(19)16-8-11-17-9-3-2-4-10-17/h2-11H2,1H3,(H,14,18)(H2,15,16,19).
What are the key properties of N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide?
N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide has a molecular weight of 270.38 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide is sourced from PubChem (CID 20736239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).