4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile

C24H35N5O2 — CID 156856596

IUPAC4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CCN3CCOCC3)CC2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C24H35N5O2/c25-20-24(6-13-28(14-7-24)19-22-1-8-26-9-2-22)23(30)29-11-4-21(5-12-29)3-10-27-15-17-31-18-16-27/h1-2,8-9,21H,3-7,10-19H2
InChIKeyRKMJPOYAXSYKMK-UHFFFAOYSA-N
MW425.58 g/mol
LogP2.15
Rot. Bonds6

About 4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile

4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile (PubChem CID 156856596) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
PubChem CID156856596
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CCN3CCOCC3)CC2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C24H35N5O2/c25-20-24(6-13-28(14-7-24)19-22-1-8-26-9-2-22)23(30)29-11-4-21(5-12-29)3-10-27-15-17-31-18-16-27/h1-2,8-9,21H,3-7,10-19H2
InChIKeyRKMJPOYAXSYKMK-UHFFFAOYSA-N
XLogP2.15
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The IUPAC name of 4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile (CID 156856596) is 4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile is N#CC1(C(=O)N2CCC(CCN3CCOCC3)CC2)CCN(Cc2ccncc2)CC1.
What is the InChIKey of 4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The InChIKey is RKMJPOYAXSYKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c25-20-24(6-13-28(14-7-24)19-22-1-8-26-9-2-22)23(30)29-11-4-21(5-12-29)3-10-27-15-17-31-18-16-27/h1-2,8-9,21H,3-7,10-19H2.
What are the key properties of 4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile has a molecular weight of 425.58 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-morpholin-4-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 156856596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).