N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide

C13H26N4O2 — CID 83109441

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide
SMILESCN(C)C(=O)NCCNC(=O)CCC1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-17(2)13(19)16-10-9-15-12(18)4-3-11-5-7-14-8-6-11/h11,14H,3-10H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyGHMWFVJMQIDHTC-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.15
Rot. Bonds6

About N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide

N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide (PubChem CID 83109441) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide
PubChem CID83109441
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide
SMILESCN(C)C(=O)NCCNC(=O)CCC1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-17(2)13(19)16-10-9-15-12(18)4-3-11-5-7-14-8-6-11/h11,14H,3-10H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyGHMWFVJMQIDHTC-UHFFFAOYSA-N
XLogP0.15
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.15
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-cyclobutylethyl)-3-piperidin-4-ylpropanamide
CID 115870643
N-(3-aminopropyl)-3-piperidin-4-ylpropanamide
CID 62211796
N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide
CID 106841935
2-methyl-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 80539959
N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-4-ylpropanamide
CID 113343484
2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 114006841
N-(3-hydroxy-4-methoxybutyl)-3-piperidin-4-ylpropanamide
CID 106247359
2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
CID 62210241
3-(2-cyclobutylethyl)-1,1-dimethylurea
CID 115687259
N-ethyl-3-[methyl(2-piperidin-4-ylethyl)amino]propanamide
CID 66272797
N-(4-hydroxy-2,2-dimethylbutyl)-3-piperidin-4-ylpropanamide
CID 114150053
N-(2-methoxy-2-methylpropyl)-3-piperidin-4-ylpropanamide
CID 113343490

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide (CID 83109441) is N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide is CN(C)C(=O)NCCNC(=O)CCC1CCNCC1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide?
The InChIKey is GHMWFVJMQIDHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-17(2)13(19)16-10-9-15-12(18)4-3-11-5-7-14-8-6-11/h11,14H,3-10H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide?
N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide has a molecular weight of 270.38 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 83109441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).