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

C23H34N6O2 — CID 156856688

IUPAC4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(C(=O)N2CCN(CCN3CCOCC3)CC2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C23H34N6O2/c24-20-23(3-7-28(8-4-23)19-21-1-5-25-6-2-21)22(30)29-13-11-26(12-14-29)9-10-27-15-17-31-18-16-27/h1-2,5-6H,3-4,7-19H2
InChIKeyPXZGUJLSIVYCMF-UHFFFAOYSA-N
MW426.57 g/mol
LogP0.66
Rot. Bonds6

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

4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile (PubChem CID 156856688) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
PubChem CID156856688
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC Name4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(C(=O)N2CCN(CCN3CCOCC3)CC2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C23H34N6O2/c24-20-23(3-7-28(8-4-23)19-21-1-5-25-6-2-21)22(30)29-13-11-26(12-14-29)9-10-27-15-17-31-18-16-27/h1-2,5-6H,3-4,7-19H2
InChIKeyPXZGUJLSIVYCMF-UHFFFAOYSA-N
XLogP0.66
TPSA75.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The IUPAC name of 4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile (CID 156856688) is 4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile is N#CC1(C(=O)N2CCN(CCN3CCOCC3)CC2)CCN(Cc2ccncc2)CC1.
What is the InChIKey of 4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The InChIKey is PXZGUJLSIVYCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c24-20-23(3-7-28(8-4-23)19-21-1-5-25-6-2-21)22(30)29-13-11-26(12-14-29)9-10-27-15-17-31-18-16-27/h1-2,5-6H,3-4,7-19H2.
What are the key properties of 4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile has a molecular weight of 426.57 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 156856688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).