4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile

C27H39N5O2 — CID 156856664

IUPAC4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CCN3CCOC(C4CC4)C3)CC2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C27H39N5O2/c28-21-27(8-15-31(16-9-27)19-23-3-10-29-11-4-23)26(33)32-13-6-22(7-14-32)5-12-30-17-18-34-25(20-30)24-1-2-24/h3-4,10-11,22,24-25H,1-2,5-9,12-20H2
InChIKeyXRDWOMNELJDSHK-UHFFFAOYSA-N
MW465.64 g/mol
LogP2.93
Rot. Bonds7

About 4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile

4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile (PubChem CID 156856664) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is 4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
PubChem CID156856664
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC Name4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CCN3CCOC(C4CC4)C3)CC2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C27H39N5O2/c28-21-27(8-15-31(16-9-27)19-23-3-10-29-11-4-23)26(33)32-13-6-22(7-14-32)5-12-30-17-18-34-25(20-30)24-1-2-24/h3-4,10-11,22,24-25H,1-2,5-9,12-20H2
InChIKeyXRDWOMNELJDSHK-UHFFFAOYSA-N
XLogP2.93
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile with MolForge

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Related Compounds

CID 97384693
CID 97384693
CID 97471454
CID 97471454
CID 72896900
CID 72896900
CID 72928865
CID 72928865
CID 91916364
CID 91916364
CID 84592971
CID 84592971
CID 156856732
CID 156856732
CID 156856765
CID 156856765
CID 131686207
CID 131686207
CID 131686892
CID 131686892
CID 131688564
CID 131688564
CID 155875314
CID 155875314

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The IUPAC name of 4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile (CID 156856664) is 4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile is N#CC1(C(=O)N2CCC(CCN3CCOC(C4CC4)C3)CC2)CCN(Cc2ccncc2)CC1.
What is the InChIKey of 4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The InChIKey is XRDWOMNELJDSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O2/c28-21-27(8-15-31(16-9-27)19-23-3-10-29-11-4-23)26(33)32-13-6-22(7-14-32)5-12-30-17-18-34-25(20-30)24-1-2-24/h3-4,10-11,22,24-25H,1-2,5-9,12-20H2.
What are the key properties of 4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile has a molecular weight of 465.64 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-cyclopropylmorpholin-4-yl)ethyl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 156856664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).