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

C25H37N5O — CID 156856706

IUPAC4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CCN3CCCCC3)CC2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C25H37N5O/c26-21-25(9-18-29(19-10-25)20-23-4-11-27-12-5-23)24(31)30-16-7-22(8-17-30)6-15-28-13-2-1-3-14-28/h4-5,11-12,22H,1-3,6-10,13-20H2
InChIKeyAEEIDCZCASYTMI-UHFFFAOYSA-N
MW423.61 g/mol
LogP3.30
Rot. Bonds6

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

4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile (PubChem CID 156856706) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is 4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
PubChem CID156856706
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC Name4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CCN3CCCCC3)CC2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C25H37N5O/c26-21-25(9-18-29(19-10-25)20-23-4-11-27-12-5-23)24(31)30-16-7-22(8-17-30)6-15-28-13-2-1-3-14-28/h4-5,11-12,22H,1-3,6-10,13-20H2
InChIKeyAEEIDCZCASYTMI-UHFFFAOYSA-N
XLogP3.30
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The IUPAC name of 4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile (CID 156856706) is 4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile is N#CC1(C(=O)N2CCC(CCN3CCCCC3)CC2)CCN(Cc2ccncc2)CC1.
What is the InChIKey of 4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
The InChIKey is AEEIDCZCASYTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O/c26-21-25(9-18-29(19-10-25)20-23-4-11-27-12-5-23)24(31)30-16-7-22(8-17-30)6-15-28-13-2-1-3-14-28/h4-5,11-12,22H,1-3,6-10,13-20H2.
What are the key properties of 4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile?
4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile has a molecular weight of 423.61 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 156856706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).