1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone

C16H29N3O2 — CID 84816570

IUPAC1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone
SMILESO=C(COC1CCN(C2CCNC2)CC1)N1CCCCC1
InChIInChI=1S/C16H29N3O2/c20-16(19-8-2-1-3-9-19)13-21-15-5-10-18(11-6-15)14-4-7-17-12-14/h14-15,17H,1-13H2
InChIKeyMOALRWOUZMTSKE-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.84
Rot. Bonds4

About 1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone

1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone (PubChem CID 84816570) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone
PubChem CID84816570
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone
SMILESO=C(COC1CCN(C2CCNC2)CC1)N1CCCCC1
InChIInChI=1S/C16H29N3O2/c20-16(19-8-2-1-3-9-19)13-21-15-5-10-18(11-6-15)14-4-7-17-12-14/h14-15,17H,1-13H2
InChIKeyMOALRWOUZMTSKE-UHFFFAOYSA-N
XLogP0.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone
CID 62327566
1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride
CID 119669536
2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid
CID 68693446
2-cyclopentyloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119402733
2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87000800
1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251949
2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid
CID 63876242
2-(3-aminocyclopentyl)oxy-1-piperidin-1-ylethanone
CID 79464849
1-(3,5-dimethylpiperidin-1-yl)-2-piperidin-4-yloxyethanone
CID 63875663
tert-butyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate
CID 71755445
N-ethyl-4-(2-piperidin-4-yloxyacetyl)piperazine-1-carboxamide
CID 63876904
2-(piperidin-4-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 39062936

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone?
The IUPAC name of 1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone (CID 84816570) is 1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone is O=C(COC1CCN(C2CCNC2)CC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone?
The InChIKey is MOALRWOUZMTSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c20-16(19-8-2-1-3-9-19)13-21-15-5-10-18(11-6-15)14-4-7-17-12-14/h14-15,17H,1-13H2.
What are the key properties of 1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone?
1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone has a molecular weight of 295.43 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone is sourced from PubChem (CID 84816570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).