(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one

C17H31N3O — CID 1439732

IUPAC(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCCC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H31N3O/c1-15(17(21)20-11-5-6-12-20)18-13-7-16(8-14-18)19-9-3-2-4-10-19/h15-16H,2-14H2,1H3/t15-/m1/s1
InChIKeyZSLNMPNMWSJGRY-OAHLLOKOSA-N
MW293.45 g/mol
LogP1.95
Rot. Bonds3

About (2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 1439732) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is (2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID1439732
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCCC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H31N3O/c1-15(17(21)20-11-5-6-12-20)18-13-7-16(8-14-18)19-9-3-2-4-10-19/h15-16H,2-14H2,1H3/t15-/m1/s1
InChIKeyZSLNMPNMWSJGRY-OAHLLOKOSA-N
XLogP1.95
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
CID 121201886
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
N,N-dimethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 78788245
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 103497901
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
(2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 94651845

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 1439732) is (2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one is C[C@H](C(=O)N1CCCC1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZSLNMPNMWSJGRY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H31N3O/c1-15(17(21)20-11-5-6-12-20)18-13-7-16(8-14-18)19-9-3-2-4-10-19/h15-16H,2-14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 293.45 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 1439732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).