N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide

C14H27N3O — CID 63854650

IUPACN-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
SMILESCNC(C)C1CCN(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C14H27N3O/c1-11(15-2)12-5-8-17(9-6-12)10-7-14(18)16-13-3-4-13/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyLLKUEOYCBWTUEZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds6

About N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide

N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide (PubChem CID 63854650) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
PubChem CID63854650
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
SMILESCNC(C)C1CCN(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C14H27N3O/c1-11(15-2)12-5-8-17(9-6-12)10-7-14(18)16-13-3-4-13/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyLLKUEOYCBWTUEZ-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide (CID 63854650) is N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide is CNC(C)C1CCN(CCC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The InChIKey is LLKUEOYCBWTUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(15-2)12-5-8-17(9-6-12)10-7-14(18)16-13-3-4-13/h11-13,15H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 63854650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).