4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile

C22H32N6O2 — CID 156856590

IUPAC4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(C(=O)N2CCN(CC3COCCN3)CC2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H32N6O2/c23-18-22(3-8-26(9-4-22)15-19-1-5-24-6-2-19)21(29)28-12-10-27(11-13-28)16-20-17-30-14-7-25-20/h1-2,5-6,20,25H,3-4,7-17H2
InChIKeyIWSYGNCFKMFTHH-UHFFFAOYSA-N
MW412.54 g/mol
LogP0.32
Rot. Bonds5

About 4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile

4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile (PubChem CID 156856590) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
PubChem CID156856590
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(C(=O)N2CCN(CC3COCCN3)CC2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H32N6O2/c23-18-22(3-8-26(9-4-22)15-19-1-5-24-6-2-19)21(29)28-12-10-27(11-13-28)16-20-17-30-14-7-25-20/h1-2,5-6,20,25H,3-4,7-17H2
InChIKeyIWSYGNCFKMFTHH-UHFFFAOYSA-N
XLogP0.32
TPSA84.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The IUPAC name of 4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile (CID 156856590) is 4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile is N#CC1(C(=O)N2CCN(CC3COCCN3)CC2)CCN(Cc2ccncc2)CC1.
What is the InChIKey of 4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The InChIKey is IWSYGNCFKMFTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c23-18-22(3-8-26(9-4-22)15-19-1-5-24-6-2-19)21(29)28-12-10-27(11-13-28)16-20-17-30-14-7-25-20/h1-2,5-6,20,25H,3-4,7-17H2.
What are the key properties of 4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile has a molecular weight of 412.54 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(morpholin-3-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 156856590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).