2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile

C22H31N5O2 — CID 95554065

IUPAC2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOc1nccc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1C#N
InChIInChI=1S/C22H31N5O2/c1-29-21-19(15-23)20(6-9-24-21)25-13-7-18(8-14-25)27-12-4-5-17(16-27)22(28)26-10-2-3-11-26/h6,9,17-18H,2-5,7-8,10-14,16H2,1H3/t17-/m1/s1
InChIKeyZSPDNTGVWIKUAT-QGZVFWFLSA-N
MW397.52 g/mol
LogP2.27
Rot. Bonds4

About 2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile

2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 95554065) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID95554065
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOc1nccc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1C#N
InChIInChI=1S/C22H31N5O2/c1-29-21-19(15-23)20(6-9-24-21)25-13-7-18(8-14-25)27-12-4-5-17(16-27)22(28)26-10-2-3-11-26/h6,9,17-18H,2-5,7-8,10-14,16H2,1H3/t17-/m1/s1
InChIKeyZSPDNTGVWIKUAT-QGZVFWFLSA-N
XLogP2.27
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 95402787
pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868753
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56880421
2-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 56879348
[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
[1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56872253
[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552222
2-methoxy-4-[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95716638
[(3R)-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95539383
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56864340
4-[[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95402096
4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-methoxypyridine-3-carbonitrile
CID 164696073

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile (CID 95554065) is 2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile is COc1nccc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1C#N.
What is the InChIKey of 2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ZSPDNTGVWIKUAT-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-29-21-19(15-23)20(6-9-24-21)25-13-7-18(8-14-25)27-12-4-5-17(16-27)22(28)26-10-2-3-11-26/h6,9,17-18H,2-5,7-8,10-14,16H2,1H3/t17-/m1/s1.
What are the key properties of 2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile?
2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 397.52 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95554065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).