3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide

C20H36N4O3 — CID 120579273

IUPAC3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)CC1(N2CCOCC2)CCCC1
InChIInChI=1S/C20H36N4O3/c21-9-6-18(25)22-16-17-5-1-4-10-24(17)19(26)15-20(7-2-3-8-20)23-11-13-27-14-12-23/h17H,1-16,21H2,(H,22,25)
InChIKeyGBBDRGDGFCERAZ-UHFFFAOYSA-N
MW380.53 g/mol
LogP0.87
Rot. Bonds7

About 3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120579273) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide
PubChem CID120579273
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)CC1(N2CCOCC2)CCCC1
InChIInChI=1S/C20H36N4O3/c21-9-6-18(25)22-16-17-5-1-4-10-24(17)19(26)15-20(7-2-3-8-20)23-11-13-27-14-12-23/h17H,1-16,21H2,(H,22,25)
InChIKeyGBBDRGDGFCERAZ-UHFFFAOYSA-N
XLogP0.87
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide (CID 120579273) is 3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)CC1(N2CCOCC2)CCCC1.
What is the InChIKey of 3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is GBBDRGDGFCERAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c21-9-6-18(25)22-16-17-5-1-4-10-24(17)19(26)15-20(7-2-3-8-20)23-11-13-27-14-12-23/h17H,1-16,21H2,(H,22,25).
What are the key properties of 3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 380.53 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-(1-morpholin-4-ylcyclopentyl)acetyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120579273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).