N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide

C16H31N3O — CID 114515740

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide
SMILESCN1CCC(CCNC(=O)CCC2CCCNC2)CC1
InChIInChI=1S/C16H31N3O/c1-19-11-7-14(8-12-19)6-10-18-16(20)5-4-15-3-2-9-17-13-15/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyFOIIIWROBFHRAO-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds6

About N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide (PubChem CID 114515740) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide
PubChem CID114515740
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide
SMILESCN1CCC(CCNC(=O)CCC2CCCNC2)CC1
InChIInChI=1S/C16H31N3O/c1-19-11-7-14(8-12-19)6-10-18-16(20)5-4-15-3-2-9-17-13-15/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyFOIIIWROBFHRAO-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]propanamide
CID 119555898
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
5,5-dimethyl-N-(2-piperidin-3-ylethyl)hexanamide;hydrochloride
CID 119559479
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557552
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
3-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557757
4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid
CID 65286080
3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515771
3-(5-methyloxolan-2-yl)-N-(2-piperidin-3-ylethyl)propanamide
CID 119557859
3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
2-cyclopropyl-N-(2-piperidin-3-ylethyl)acetamide
CID 63628201
N-(2-cyclobutylethyl)-3-piperidin-4-ylpropanamide
CID 115870643

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide (CID 114515740) is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide is CN1CCC(CCNC(=O)CCC2CCCNC2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide?
The InChIKey is FOIIIWROBFHRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-19-11-7-14(8-12-19)6-10-18-16(20)5-4-15-3-2-9-17-13-15/h14-15,17H,2-13H2,1H3,(H,18,20).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide?
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide has a molecular weight of 281.44 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 114515740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).