2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone

C16H28N4O3 — CID 119834234

IUPAC2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESNC1CCC(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C16H28N4O3/c17-14-2-1-13(11-14)16(22)20-5-3-18(4-6-20)12-15(21)19-7-9-23-10-8-19/h13-14H,1-12,17H2
InChIKeyHSUZNWJKMZPJIX-UHFFFAOYSA-N
MW324.43 g/mol
LogP-0.88
Rot. Bonds3

About 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 119834234) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID119834234
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESNC1CCC(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C16H28N4O3/c17-14-2-1-13(11-14)16(22)20-5-3-18(4-6-20)12-15(21)19-7-9-23-10-8-19/h13-14H,1-12,17H2
InChIKeyHSUZNWJKMZPJIX-UHFFFAOYSA-N
XLogP-0.88
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876001
2-[4-(3-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844119
2-[4-(3-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119844122
2-(4-aminopiperidin-1-yl)-1-morpholin-4-ylethanone;dihydrochloride
CID 56773516
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119834289
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 119879435
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834260
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119715746

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 119834234) is 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone is NC1CCC(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1.
What is the InChIKey of 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is HSUZNWJKMZPJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c17-14-2-1-13(11-14)16(22)20-5-3-18(4-6-20)12-15(21)19-7-9-23-10-8-19/h13-14H,1-12,17H2.
What are the key properties of 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 324.43 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 119834234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).