6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile

C23H28N4 — CID 56908017

IUPAC6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(C3CCN(CCc4ccccc4)CC3)C2)nc1
InChIInChI=1S/C23H28N4/c24-16-20-6-7-23(25-17-20)27-15-11-22(18-27)21-9-13-26(14-10-21)12-8-19-4-2-1-3-5-19/h1-7,17,21-22H,8-15,18H2
InChIKeySAXDRMILIRVTEB-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.73
Rot. Bonds5

About 6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile

6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 56908017) has the molecular formula C23H28N4 and a molecular weight of 360.50 g/mol. Its IUPAC name is 6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID56908017
Molecular FormulaC23H28N4
Molecular Weight360.50 g/mol
Exact Mass360.23
IUPAC Name6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(C3CCN(CCc4ccccc4)CC3)C2)nc1
InChIInChI=1S/C23H28N4/c24-16-20-6-7-23(25-17-20)27-15-11-22(18-27)21-9-13-26(14-10-21)12-8-19-4-2-1-3-5-19/h1-7,17,21-22H,8-15,18H2
InChIKeySAXDRMILIRVTEB-UHFFFAOYSA-N
XLogP3.73
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3R)-3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95722474
6-[4-(2-phenylethylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645087
6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 72920107
6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
CID 163351951
6-[(4aS,8aR)-2-oxo-1-(2-pyridin-2-ylethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]pyridine-3-carbonitrile
CID 70710877
4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine
CID 56883222
6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile
CID 133435807
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
CID 155501199
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
6-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 24743685
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459

Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 56908017) is 6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(C3CCN(CCc4ccccc4)CC3)C2)nc1.
What is the InChIKey of 6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is SAXDRMILIRVTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c24-16-20-6-7-23(25-17-20)27-15-11-22(18-27)21-9-13-26(14-10-21)12-8-19-4-2-1-3-5-19/h1-7,17,21-22H,8-15,18H2.
What are the key properties of 6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 360.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56908017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).