4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile

C23H34N6O2 — CID 156856606

IUPAC4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
SMILESCN1CCOCC1CN1CCN(C(=O)C2(C#N)CCN(Cc3ccncc3)CC2)CC1
InChIInChI=1S/C23H34N6O2/c1-26-14-15-31-18-21(26)17-28-10-12-29(13-11-28)22(30)23(19-24)4-8-27(9-5-23)16-20-2-6-25-7-3-20/h2-3,6-7,21H,4-5,8-18H2,1H3
InChIKeyFYMRYRDDQUHTTQ-UHFFFAOYSA-N
MW426.57 g/mol
LogP0.66
Rot. Bonds5

About 4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile

4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile (PubChem CID 156856606) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
PubChem CID156856606
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC Name4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
SMILESCN1CCOCC1CN1CCN(C(=O)C2(C#N)CCN(Cc3ccncc3)CC2)CC1
InChIInChI=1S/C23H34N6O2/c1-26-14-15-31-18-21(26)17-28-10-12-29(13-11-28)22(30)23(19-24)4-8-27(9-5-23)16-20-2-6-25-7-3-20/h2-3,6-7,21H,4-5,8-18H2,1H3
InChIKeyFYMRYRDDQUHTTQ-UHFFFAOYSA-N
XLogP0.66
TPSA75.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
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-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The IUPAC name of 4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile (CID 156856606) is 4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile is CN1CCOCC1CN1CCN(C(=O)C2(C#N)CCN(Cc3ccncc3)CC2)CC1.
What is the InChIKey of 4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The InChIKey is FYMRYRDDQUHTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-26-14-15-31-18-21(26)17-28-10-12-29(13-11-28)22(30)23(19-24)4-8-27(9-5-23)16-20-2-6-25-7-3-20/h2-3,6-7,21H,4-5,8-18H2,1H3.
What are the key properties of 4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile has a molecular weight of 426.57 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methylmorpholin-3-yl)methyl]piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 156856606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).