1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile

C21H23ClN4O — CID 118730661

IUPAC1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2c(Cl)cncc2-c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C21H23ClN4O/c22-20-15-24-14-19(21(20)26-7-5-16(13-23)6-8-26)17-1-3-18(4-2-17)25-9-11-27-12-10-25/h1-4,14-16H,5-12H2
InChIKeyHWSLFBPPAMYJMB-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.98
Rot. Bonds3

About 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile

1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile (PubChem CID 118730661) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile
PubChem CID118730661
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2c(Cl)cncc2-c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C21H23ClN4O/c22-20-15-24-14-19(21(20)26-7-5-16(13-23)6-8-26)17-1-3-18(4-2-17)25-9-11-27-12-10-25/h1-4,14-16H,5-12H2
InChIKeyHWSLFBPPAMYJMB-UHFFFAOYSA-N
XLogP3.98
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile (CID 118730661) is 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile is N#CC1CCN(c2c(Cl)cncc2-c2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile?
The InChIKey is HWSLFBPPAMYJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c22-20-15-24-14-19(21(20)26-7-5-16(13-23)6-8-26)17-1-3-18(4-2-17)25-9-11-27-12-10-25/h1-4,14-16H,5-12H2.
What are the key properties of 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile?
1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile has a molecular weight of 382.90 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carbonitrile is sourced from PubChem (CID 118730661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).