1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone

C18H31N3O3 — CID 154853211

IUPAC1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone
SMILESO=C(CN[C@@H]1CCCN(C(=O)COCC2CCCC2)C1)N1CCC1
InChIInChI=1S/C18H31N3O3/c22-17(20-9-4-10-20)11-19-16-7-3-8-21(12-16)18(23)14-24-13-15-5-1-2-6-15/h15-16,19H,1-14H2/t16-/m1/s1
InChIKeyJRQINIWPYBHVFF-MRXNPFEDSA-N
MW337.46 g/mol
LogP1.01
Rot. Bonds7

About 1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone

1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone (PubChem CID 154853211) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone
PubChem CID154853211
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone
SMILESO=C(CN[C@@H]1CCCN(C(=O)COCC2CCCC2)C1)N1CCC1
InChIInChI=1S/C18H31N3O3/c22-17(20-9-4-10-20)11-19-16-7-3-8-21(12-16)18(23)14-24-13-15-5-1-2-6-15/h15-16,19H,1-14H2/t16-/m1/s1
InChIKeyJRQINIWPYBHVFF-MRXNPFEDSA-N
XLogP1.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone with MolForge

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Related Compounds

1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
CID 124889456
1-[3-(cyclopentylmethylamino)piperidin-1-yl]propan-1-one
CID 83997840
1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid
CID 61156810
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
2-(piperidin-4-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 39062936
2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 61462383
2-(cyclopentylamino)-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone
CID 107220351
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
2-(cyclopentylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 94896155
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
2-butoxy-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119489315
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone (CID 154853211) is 1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone is O=C(CN[C@@H]1CCCN(C(=O)COCC2CCCC2)C1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone?
The InChIKey is JRQINIWPYBHVFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31N3O3/c22-17(20-9-4-10-20)11-19-16-7-3-8-21(12-16)18(23)14-24-13-15-5-1-2-6-15/h15-16,19H,1-14H2/t16-/m1/s1.
What are the key properties of 1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone?
1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone has a molecular weight of 337.46 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone is sourced from PubChem (CID 154853211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).