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

C22H27ClN4O2 — CID 118730662

IUPAC1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(N)=O)CCN(c2c(Cl)cncc2-c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C22H27ClN4O2/c1-22(21(24)28)6-8-27(9-7-22)20-18(14-25-15-19(20)23)16-2-4-17(5-3-16)26-10-12-29-13-11-26/h2-5,14-15H,6-13H2,1H3,(H2,24,28)
InChIKeyKOTJOCOIHQWMHI-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.33
Rot. Bonds4

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

1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide (PubChem CID 118730662) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide
PubChem CID118730662
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(N)=O)CCN(c2c(Cl)cncc2-c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C22H27ClN4O2/c1-22(21(24)28)6-8-27(9-7-22)20-18(14-25-15-19(20)23)16-2-4-17(5-3-16)26-10-12-29-13-11-26/h2-5,14-15H,6-13H2,1H3,(H2,24,28)
InChIKeyKOTJOCOIHQWMHI-UHFFFAOYSA-N
XLogP3.33
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.33
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]-4-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide (CID 118730662) is 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide is CC1(C(N)=O)CCN(c2c(Cl)cncc2-c2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is KOTJOCOIHQWMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-22(21(24)28)6-8-27(9-7-22)20-18(14-25-15-19(20)23)16-2-4-17(5-3-16)26-10-12-29-13-11-26/h2-5,14-15H,6-13H2,1H3,(H2,24,28).
What are the key properties of 1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide?
1-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 3.33, 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]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 118730662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).