1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide

C22H25ClF3N5O2 — CID 32585133

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C22H25ClF3N5O2/c23-18-12-17(22(24,25)26)14-28-20(18)31-5-2-16(3-6-31)21(32)29-13-15-1-4-27-19(11-15)30-7-9-33-10-8-30/h1,4,11-12,14,16H,2-3,5-10,13H2,(H,29,32)
InChIKeyHKWZAXBRKYCQIB-UHFFFAOYSA-N
MW483.92 g/mol
LogP3.52
Rot. Bonds5

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 32585133) has the molecular formula C22H25ClF3N5O2 and a molecular weight of 483.92 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID32585133
Molecular FormulaC22H25ClF3N5O2
Molecular Weight483.92 g/mol
Exact Mass483.16
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C22H25ClF3N5O2/c23-18-12-17(22(24,25)26)14-28-20(18)31-5-2-16(3-6-31)21(32)29-13-15-1-4-27-19(11-15)30-7-9-33-10-8-30/h1,4,11-12,14,16H,2-3,5-10,13H2,(H,29,32)
InChIKeyHKWZAXBRKYCQIB-UHFFFAOYSA-N
XLogP3.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.92
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide (CID 32585133) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccnc(N2CCOCC2)c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is HKWZAXBRKYCQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF3N5O2/c23-18-12-17(22(24,25)26)14-28-20(18)31-5-2-16(3-6-31)21(32)29-13-15-1-4-27-19(11-15)30-7-9-33-10-8-30/h1,4,11-12,14,16H,2-3,5-10,13H2,(H,29,32).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 483.92 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 32585133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).