2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide

C14H28N4O3 — CID 122564451

IUPAC2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
SMILESCN1CCC(OCCCNC(=O)CNC(=O)N(C)C)CC1
InChIInChI=1S/C14H28N4O3/c1-17(2)14(20)16-11-13(19)15-7-4-10-21-12-5-8-18(3)9-6-12/h12H,4-11H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyGBKLJTPFXGMOKO-UHFFFAOYSA-N
MW300.40 g/mol
LogP-0.13
Rot. Bonds7

About 2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide

2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide (PubChem CID 122564451) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
PubChem CID122564451
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC Name2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
SMILESCN1CCC(OCCCNC(=O)CNC(=O)N(C)C)CC1
InChIInChI=1S/C14H28N4O3/c1-17(2)14(20)16-11-13(19)15-7-4-10-21-12-5-8-18(3)9-6-12/h12H,4-11H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyGBKLJTPFXGMOKO-UHFFFAOYSA-N
XLogP-0.13
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
CID 122565628
N-methyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 62442293
2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
CID 91792907
3,5-dimethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-4H-1,2-oxazole-5-carboxamide
CID 122569135
ethane;N-[2-[2-[2-[2-[2-(1-methylpiperidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 171081964
N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 79286966
1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 83116217
formic acid;1-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide
CID 154912664
2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide
CID 119802931
4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol
CID 175636399
2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]propan-1-amine
CID 62442619
N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide
CID 87014178

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide (CID 122564451) is 2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide is CN1CCC(OCCCNC(=O)CNC(=O)N(C)C)CC1.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide?
The InChIKey is GBKLJTPFXGMOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-17(2)14(20)16-11-13(19)15-7-4-10-21-12-5-8-18(3)9-6-12/h12H,4-11H2,1-3H3,(H,15,19)(H,16,20).
What are the key properties of 2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide?
2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide has a molecular weight of 300.40 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide is sourced from PubChem (CID 122564451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).