pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone

C22H36N4O — CID 95551816

IUPACpyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(C2CCN(CCCn3cccc3)CC2)C1)N1CCCC1
InChIInChI=1S/C22H36N4O/c27-22(25-14-3-4-15-25)20-7-5-16-26(19-20)21-8-17-24(18-9-21)13-6-12-23-10-1-2-11-23/h1-2,10-11,20-21H,3-9,12-19H2/t20-/m1/s1
InChIKeyGJPYWGQDQDXZMV-HXUWFJFHSA-N
MW372.56 g/mol
LogP2.68
Rot. Bonds6

About pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone

pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 95551816) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID95551816
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Namepyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(C2CCN(CCCn3cccc3)CC2)C1)N1CCCC1
InChIInChI=1S/C22H36N4O/c27-22(25-14-3-4-15-25)20-7-5-16-26(19-20)21-8-17-24(18-9-21)13-6-12-23-10-1-2-11-23/h1-2,10-11,20-21H,3-9,12-19H2/t20-/m1/s1
InChIKeyGJPYWGQDQDXZMV-HXUWFJFHSA-N
XLogP2.68
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95554424
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
(3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 97119781
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
[(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95549340
(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 26329649
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid
CID 67087121
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 56861468

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 95551816) is pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone is O=C([C@@H]1CCCN(C2CCN(CCCn3cccc3)CC2)C1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is GJPYWGQDQDXZMV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H36N4O/c27-22(25-14-3-4-15-25)20-7-5-16-26(19-20)21-8-17-24(18-9-21)13-6-12-23-10-1-2-11-23/h1-2,10-11,20-21H,3-9,12-19H2/t20-/m1/s1.
What are the key properties of pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone?
pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 372.56 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 95551816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).