2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide

C14H27N3O — CID 79714454

IUPAC2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C14H27N3O/c1-3-16(2)14(18)11-17(13-4-5-13)10-12-6-8-15-9-7-12/h12-13,15H,3-11H2,1-2H3
InChIKeyWSUKAXPYRWERDZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds6

About 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide

2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide (PubChem CID 79714454) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide
PubChem CID79714454
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C14H27N3O/c1-3-16(2)14(18)11-17(13-4-5-13)10-12-6-8-15-9-7-12/h12-13,15H,3-11H2,1-2H3
InChIKeyWSUKAXPYRWERDZ-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea
CID 79716976
methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate
CID 79714267
N-cyclopropyl-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79716361
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 79714194
N-cyclopropyl-N-(piperidin-4-ylmethyl)propanamide;hydrochloride
CID 126511804
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542
N-cyclopropyl-N-methyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 54957401
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclopropanamine
CID 62372474
N-methyl-N-(piperidin-4-ylmethyl)acetamide;hydrochloride
CID 118998343
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide
CID 61230973
N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79715457

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide (CID 79714454) is 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN(CC1CCNCC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is WSUKAXPYRWERDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-16(2)14(18)11-17(13-4-5-13)10-12-6-8-15-9-7-12/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide?
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide has a molecular weight of 253.39 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 79714454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).