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

C21H25ClN4O2 — CID 118730660

IUPAC1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C21H25ClN4O2/c22-19-14-24-13-18(20(19)26-7-5-16(6-8-26)21(23)27)15-1-3-17(4-2-15)25-9-11-28-12-10-25/h1-4,13-14,16H,5-12H2,(H2,23,27)
InChIKeyDXSCXUJTRFRNTF-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.94
Rot. Bonds4

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

1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide (PubChem CID 118730660) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide
PubChem CID118730660
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C21H25ClN4O2/c22-19-14-24-13-18(20(19)26-7-5-16(6-8-26)21(23)27)15-1-3-17(4-2-15)25-9-11-28-12-10-25/h1-4,13-14,16H,5-12H2,(H2,23,27)
InChIKeyDXSCXUJTRFRNTF-UHFFFAOYSA-N
XLogP2.94
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.94
H-Bond Donors ≤ 51
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-carboxamide?
The IUPAC name of 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide (CID 118730660) is 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide?
The InChIKey is DXSCXUJTRFRNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c22-19-14-24-13-18(20(19)26-7-5-16(6-8-26)21(23)27)15-1-3-17(4-2-15)25-9-11-28-12-10-25/h1-4,13-14,16H,5-12H2,(H2,23,27).
What are the key properties of 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide?
1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 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-carboxamide is sourced from PubChem (CID 118730660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).